methyl 2-acetyl-1,3-thiazole-4-carboxylate

methyl 2-acetyl-1,3-thiazole-4-carboxylate

CAS: 76275-87-1

Formula: C7H7NO3S

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

IUPAC: methyl 2-acetyl-1,3-thiazole-4-carboxylate

InChI: InChI=1S/C7H7NO3S/c1-4(9)6-8-5(3-12-6)7(10)11-2/h3H,1-2H3

Composition: C (45.40%), H (3.81%), N (7.56%), O (25.92%), S (17.31%)

Molar Mass: 185.2

Atom Count: 19

Heavy Atom Count: 12

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	185.014664263
Formal Charge	0
FSP3	0.29
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
InChIKey	NKGHYFIJEUOADI-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	42.8
Topological Polar Surface Area	56.26
Polarizability	16.46
Ring Count	1
Rotatable Bond Count	3

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