ethyl 4-(chloromethyl)-2-(propylamino)-1,3-thiazole-5-carboxylate

ethyl 4-(chloromethyl)-2-(propylamino)-1,3-thiazole-5-carboxylate

CAS: 937598-40-8

Formula: C10H15ClN2O2S

SMILES: CCCNC1=NC(CCl)=C(S1)C(=O)OCC

IUPAC: ethyl 4-(chloromethyl)-2-(propylamino)-1,3-thiazole-5-carboxylate

InChI: InChI=1S/C10H15ClN2O2S/c1-3-5-12-10-13-7(6-11)8(16-10)9(14)15-4-2/h3-6H2,1-2H3,(H,12,13)

Composition: C (45.71%), H (5.75%), Cl (13.49%), N (10.66%), O (12.18%), S (12.20%)

Molar Mass: 262.75

Atom Count: 31

Heavy Atom Count: 16

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	262.0542766
Formal Charge	0
FSP3	0.6
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	JDUOUTRTOPCFAN-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	66.11
Topological Polar Surface Area	51.22
Polarizability	24.83
Ring Count	1
Rotatable Bond Count	7

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