(2-ethyl-1,3-thiazol-4-yl)methyl 1-(4-chlorophenyl)cyclobutane-1-carboxylate

C17H18ClNO2S — CID 55533819

IUPAC(2-ethyl-1,3-thiazol-4-yl)methyl 1-(4-chlorophenyl)cyclobutane-1-carboxylate
SMILESCCc1nc(COC(=O)C2(c3ccc(Cl)cc3)CCC2)cs1
InChIInChI=1S/C17H18ClNO2S/c1-2-15-19-14(11-22-15)10-21-16(20)17(8-3-9-17)12-4-6-13(18)7-5-12/h4-7,11H,2-3,8-10H2,1H3
InChIKeyYDIZKQSQCKICMS-UHFFFAOYSA-N
MW335.86 g/mol
LogP4.52
Rot. Bonds5

About (2-ethyl-1,3-thiazol-4-yl)methyl 1-(4-chlorophenyl)cyclobutane-1-carboxylate

(2-ethyl-1,3-thiazol-4-yl)methyl 1-(4-chlorophenyl)cyclobutane-1-carboxylate (PubChem CID 55533819) has the molecular formula C17H18ClNO2S and a molecular weight of 335.86 g/mol. Its IUPAC name is (2-ethyl-1,3-thiazol-4-yl)methyl 1-(4-chlorophenyl)cyclobutane-1-carboxylate.

Molecular Properties

Compound Name(2-ethyl-1,3-thiazol-4-yl)methyl 1-(4-chlorophenyl)cyclobutane-1-carboxylate
PubChem CID55533819
Molecular FormulaC17H18ClNO2S
Molecular Weight335.86 g/mol
Exact Mass335.07
IUPAC Name(2-ethyl-1,3-thiazol-4-yl)methyl 1-(4-chlorophenyl)cyclobutane-1-carboxylate
SMILESCCc1nc(COC(=O)C2(c3ccc(Cl)cc3)CCC2)cs1
InChIInChI=1S/C17H18ClNO2S/c1-2-15-19-14(11-22-15)10-21-16(20)17(8-3-9-17)12-4-6-13(18)7-5-12/h4-7,11H,2-3,8-10H2,1H3
InChIKeyYDIZKQSQCKICMS-UHFFFAOYSA-N
XLogP4.52
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.86
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (2-ethyl-1,3-thiazol-4-yl)methyl 1-(4-chlorophenyl)cyclobutane-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-[2-(2-methylanilino)-2-oxoethyl]-1,3-thiazol-4-yl]methyl 1-(4-chlorophenyl)cyclopentane-1-carboxylate
CID 16528452
(5-methyl-1,2-oxazol-3-yl)methyl 1-(4-chlorophenyl)cyclobutane-1-carboxylate
CID 55384481
imidazo[1,2-a]pyridin-2-ylmethyl 1-(4-chlorophenyl)cyclopentane-1-carboxylate
CID 8759120
(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 1-(4-chlorophenyl)cyclopropane-1-carboxylate
CID 7455115
(2-phenyl-1,3-thiazol-4-yl)methyl 1-(4-fluorophenyl)cyclopentane-1-carboxylate
CID 23878313
(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl 1-(4-chlorophenyl)cyclopentane-1-carboxylate
CID 43048760
[5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]methyl 1-(4-chlorophenyl)cyclopentane-1-carboxylate
CID 16870134
[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl 1-phenylcyclopentane-1-carboxylate
CID 18208076
[2-(ethylamino)-2-oxoethyl] 1-(4-chlorophenyl)cyclopentane-1-carboxylate
CID 2566919
[2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl 1-phenylcyclopentane-1-carboxylate
CID 8611711
[2-(N-acetyl-2,4-dimethylanilino)-1,3-thiazol-4-yl]methyl 1-(4-fluorophenyl)cyclopentane-1-carboxylate
CID 46790863
(2-ethyl-1,3-thiazol-4-yl)methyl 3,3-dimethylbutanoate
CID 78842414

Frequently Asked Questions

What is the IUPAC name of (2-ethyl-1,3-thiazol-4-yl)methyl 1-(4-chlorophenyl)cyclobutane-1-carboxylate?
The IUPAC name of (2-ethyl-1,3-thiazol-4-yl)methyl 1-(4-chlorophenyl)cyclobutane-1-carboxylate (CID 55533819) is (2-ethyl-1,3-thiazol-4-yl)methyl 1-(4-chlorophenyl)cyclobutane-1-carboxylate.
What is the SMILES notation for (2-ethyl-1,3-thiazol-4-yl)methyl 1-(4-chlorophenyl)cyclobutane-1-carboxylate?
The canonical SMILES for (2-ethyl-1,3-thiazol-4-yl)methyl 1-(4-chlorophenyl)cyclobutane-1-carboxylate is CCc1nc(COC(=O)C2(c3ccc(Cl)cc3)CCC2)cs1.
What is the InChIKey of (2-ethyl-1,3-thiazol-4-yl)methyl 1-(4-chlorophenyl)cyclobutane-1-carboxylate?
The InChIKey is YDIZKQSQCKICMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClNO2S/c1-2-15-19-14(11-22-15)10-21-16(20)17(8-3-9-17)12-4-6-13(18)7-5-12/h4-7,11H,2-3,8-10H2,1H3.
What are the key properties of (2-ethyl-1,3-thiazol-4-yl)methyl 1-(4-chlorophenyl)cyclobutane-1-carboxylate?
(2-ethyl-1,3-thiazol-4-yl)methyl 1-(4-chlorophenyl)cyclobutane-1-carboxylate has a molecular weight of 335.86 g/mol, XLogP of 4.52, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethyl-1,3-thiazol-4-yl)methyl 1-(4-chlorophenyl)cyclobutane-1-carboxylate is sourced from PubChem (CID 55533819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).