ethyl 4-(chloromethyl)-2-[(2-methylpropyl)amino]-1,3-thiazole-5-carboxylate

ethyl 4-(chloromethyl)-2-[(2-methylpropyl)amino]-1,3-thiazole-5-carboxylate

CAS: 937597-83-6

Formula: C11H17ClN2O2S

SMILES: CCOC(=O)C1=C(CCl)N=C(NCC(C)C)S1

IUPAC: ethyl 4-(chloromethyl)-2-[(2-methylpropyl)amino]-1,3-thiazole-5-carboxylate

InChI: InChI=1S/C11H17ClN2O2S/c1-4-16-10(15)9-8(5-12)14-11(17-9)13-6-7(2)3/h7H,4-6H2,1-3H3,(H,13,14)

Composition: C (47.74%), H (6.19%), Cl (12.81%), N (10.12%), O (11.56%), S (11.58%)

Molar Mass: 276.78

Atom Count: 34

Heavy Atom Count: 17

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	276.0699267
Formal Charge	0
FSP3	0.64
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	ITJKCZSYMMCVME-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	70.58
Topological Polar Surface Area	51.22
Polarizability	26.65
Ring Count	1
Rotatable Bond Count	7

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