N-{2-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]ethyl}-5-nitropyridin-2-amine

N-{2-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]ethyl}-5-nitropyridin-2-amine

CAS: 861207-09-2

Formula: C16H13ClN4O2S

SMILES: [O-][N+](=O)C1=CN=C(NCCC2=CSC(=N2)C2=CC=CC(Cl)=C2)C=C1

IUPAC: N-{2-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]ethyl}-5-nitropyridin-2-amine

InChI: InChI=1S/C16H13ClN4O2S/c17-12-3-1-2-11(8-12)16-20-13(10-24-16)6-7-18-15-5-4-14(9-19-15)21(22)23/h1-5,8-10H,6-7H2,(H,18,19)

Composition: C (53.26%), H (3.63%), Cl (9.82%), N (15.53%), O (8.87%), S (8.89%)

Molar Mass: 360.82

Atom Count: 37

Heavy Atom Count: 24

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	360.0447745
Formal Charge	0
FSP3	0.12
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
InChIKey	CGDUYEYKWYTCNU-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	104.63
Topological Polar Surface Area	80.95
Polarizability	35.59
Ring Count	3
Rotatable Bond Count	6

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Purity	LeadTime	CAS	PacketSize	UnitPrice
90%	<2 Days	861207-09-2		$51.35-$524.40$51.35$63.37$86.31$524.40