2-(4-methyl-1,3-thiazol-2-yl)ethyl propanoate

2-(4-methyl-1,3-thiazol-2-yl)ethyl propanoate

CAS: 324742-96-3

Formula: C9H13NO2S

SMILES: CCC(=O)OCCC1=NC(C)=CS1

IUPAC: 2-(4-methyl-1,3-thiazol-2-yl)ethyl propanoate

InChI: InChI=1S/C9H13NO2S/c1-3-9(11)12-5-4-8-10-7(2)6-13-8/h6H,3-5H2,1-2H3

Composition: C (54.25%), H (6.58%), N (7.03%), O (16.06%), S (16.09%)

Molar Mass: 199.27

Atom Count: 26

Heavy Atom Count: 13

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	199.066699837
Formal Charge	0
FSP3	0.56
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	BHHAXHWLDXWYHW-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	50.48
Topological Polar Surface Area	39.19
Polarizability	19.88
Ring Count	1
Rotatable Bond Count	5

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