1-[(3-hydroxyphenyl)methyl]-3-[4-(pyridin-4-yl)-1,3-thiazol-2-yl]urea dihydrochloride

1-[(3-hydroxyphenyl)methyl]-3-[4-(pyridin-4-yl)-1,3-thiazol-2-yl]urea dihydrochloride

Formula: C16H16Cl2N4O2S

SMILES: Cl.Cl.OC1=CC=CC(CNC(=O)NC2=NC(=CS2)C2=CC=NC=C2)=C1

IUPAC: 1-[(3-hydroxyphenyl)methyl]-3-[4-(pyridin-4-yl)-1,3-thiazol-2-yl]urea dihydrochloride

InChI: InChI=1S/C16H14N4O2S.2ClH/c21-13-3-1-2-11(8-13)9-18-15(22)20-16-19-14(10-23-16)12-4-6-17-7-5-12;;/h1-8,10,21H,9H2,(H2,18,19,20,22);2*1H

Composition: C (48.13%), H (4.04%), Cl (17.76%), N (14.03%), O (8.01%), S (8.03%)

Molar Mass: 399.29

Atom Count: 41

Heavy Atom Count: 25

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	398.0371023
Formal Charge	0
FSP3	0.06
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	3
InChIKey	GBXLRAPHQIRDNS-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	88.38
Topological Polar Surface Area	87.14
Polarizability	34.38
Ring Count	3
Rotatable Bond Count	4

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Purity	LeadTime	Formula		UnitPrice
98%	<10 Days	C16H16Cl2N4O2S		Quote Only