3-(1,3-thiazol-4-yl)aniline

3-(1,3-thiazol-4-yl)aniline

CAS: 134812-28-5

Formula: C9H8N2S

SMILES: NC1=CC=CC(=C1)C1=CSC=N1

IUPAC: 3-(1,3-thiazol-4-yl)aniline

InChI: InChI=1S/C9H8N2S/c10-8-3-1-2-7(4-8)9-5-12-6-11-9/h1-6H,10H2

Composition: C (61.34%), H (4.58%), N (15.90%), S (18.19%)

Molar Mass: 176.24

Atom Count: 20

Heavy Atom Count: 12

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	176.04081944
Formal Charge	0
FSP3	0
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	IEKBOUQLQRHVRN-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	50.73
Topological Polar Surface Area	38.91
Polarizability	20.2
Ring Count	2
Rotatable Bond Count	1

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