1-[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]methanamine

1-[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]methanamine

CAS: 885280-24-0

Formula: C11H12N2OS

SMILES: COC1=CC=CC(=C1)C1=NC(CN)=CS1

IUPAC: 1-[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]methanamine

InChI: InChI=1S/C11H12N2OS/c1-14-10-4-2-3-8(5-10)11-13-9(6-12)7-15-11/h2-5,7H,6,12H2,1H3

Composition: C (59.98%), H (5.49%), N (12.72%), O (7.26%), S (14.55%)

Molar Mass: 220.29

Atom Count: 27

Heavy Atom Count: 15

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	220.067034188
Formal Charge	0
FSP3	0.18
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	SERJPGQOSJQHHC-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	70.78
Topological Polar Surface Area	48.14
Polarizability	24.26
Ring Count	2
Rotatable Bond Count	3

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