methyl 4-(2-amino-1,3-thiazol-4-yl)benzoate

methyl 4-(2-amino-1,3-thiazol-4-yl)benzoate

CAS: 206555-77-3

Formula: C11H10N2O2S

SMILES: COC(=O)C1=CC=C(C=C1)C1=CSC(N)=N1

IUPAC: methyl 4-(2-amino-1,3-thiazol-4-yl)benzoate

InChI: InChI=1S/C11H10N2O2S/c1-15-10(14)8-4-2-7(3-5-8)9-6-16-11(12)13-9/h2-6H,1H3,(H2,12,13)

Composition: C (56.40%), H (4.30%), N (11.96%), O (13.66%), S (13.68%)

Molar Mass: 234.27

Atom Count: 26

Heavy Atom Count: 16

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	234.046298744
Formal Charge	0
FSP3	0.09
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	FKEIGGWJRUYGHR-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	62.23
Topological Polar Surface Area	65.21
Polarizability	24.6
Ring Count	2
Rotatable Bond Count	3

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