(3-chlorophenyl)methyl 2-acetamido-1,3-thiazole-4-carboxylate

C13H11ClN2O3S — CID 46604902

IUPAC(3-chlorophenyl)methyl 2-acetamido-1,3-thiazole-4-carboxylate
SMILESCC(=O)Nc1nc(C(=O)OCc2cccc(Cl)c2)cs1
InChIInChI=1S/C13H11ClN2O3S/c1-8(17)15-13-16-11(7-20-13)12(18)19-6-9-3-2-4-10(14)5-9/h2-5,7H,6H2,1H3,(H,15,16,17)
InChIKeyWJVLELWQRYCZGQ-UHFFFAOYSA-N
MW310.76 g/mol
LogP3.11
Rot. Bonds4

About (3-chlorophenyl)methyl 2-acetamido-1,3-thiazole-4-carboxylate

(3-chlorophenyl)methyl 2-acetamido-1,3-thiazole-4-carboxylate (PubChem CID 46604902) has the molecular formula C13H11ClN2O3S and a molecular weight of 310.76 g/mol. Its IUPAC name is (3-chlorophenyl)methyl 2-acetamido-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Name(3-chlorophenyl)methyl 2-acetamido-1,3-thiazole-4-carboxylate
PubChem CID46604902
Molecular FormulaC13H11ClN2O3S
Molecular Weight310.76 g/mol
Exact Mass310.02
IUPAC Name(3-chlorophenyl)methyl 2-acetamido-1,3-thiazole-4-carboxylate
SMILESCC(=O)Nc1nc(C(=O)OCc2cccc(Cl)c2)cs1
InChIInChI=1S/C13H11ClN2O3S/c1-8(17)15-13-16-11(7-20-13)12(18)19-6-9-3-2-4-10(14)5-9/h2-5,7H,6H2,1H3,(H,15,16,17)
InChIKeyWJVLELWQRYCZGQ-UHFFFAOYSA-N
XLogP3.11
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.76
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3-chlorophenyl)methyl 2-thiophen-3-yl-1,3-thiazole-4-carboxylate
CID 46659444
(3-chlorophenyl)methyl 3,5-diacetamidobenzoate
CID 30097917
(1,3-dioxoisoindol-2-yl)methyl 2-acetamido-1,3-thiazole-4-carboxylate
CID 46605544
bis[(3-chlorophenyl)methyl] carbonate
CID 44719399
(3-methoxyphenyl)methyl 2-amino-1,3-thiazole-4-carboxylate
CID 175547229
[2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl 2-acetamido-1,3-thiazole-4-carboxylate
CID 46605080
[2-[3-chloro-4-(difluoromethoxy)anilino]-2-oxoethyl] 2-acetamido-1,3-thiazole-4-carboxylate
CID 46604962
ethyl 2-(2,6-dichloroanilino)-1,3-thiazole-4-carboxylate
CID 80568594
ethyl 2-(3-ethylanilino)-1,3-thiazole-4-carboxylate
CID 113221139
(2-chloro-4-phenylphenyl) 2-acetamido-1,3-thiazole-4-carboxylate
CID 60502125
(3-fluoro-4-methoxyphenyl)methyl 2-(benzylamino)-1,3-thiazole-4-carboxylate
CID 55321379
N-[(3-chlorophenyl)methyl]-2-(3-ethylanilino)-1,3-thiazole-4-carboxamide
CID 50830718

Frequently Asked Questions

What is the IUPAC name of (3-chlorophenyl)methyl 2-acetamido-1,3-thiazole-4-carboxylate?
The IUPAC name of (3-chlorophenyl)methyl 2-acetamido-1,3-thiazole-4-carboxylate (CID 46604902) is (3-chlorophenyl)methyl 2-acetamido-1,3-thiazole-4-carboxylate.
What is the SMILES notation for (3-chlorophenyl)methyl 2-acetamido-1,3-thiazole-4-carboxylate?
The canonical SMILES for (3-chlorophenyl)methyl 2-acetamido-1,3-thiazole-4-carboxylate is CC(=O)Nc1nc(C(=O)OCc2cccc(Cl)c2)cs1.
What is the InChIKey of (3-chlorophenyl)methyl 2-acetamido-1,3-thiazole-4-carboxylate?
The InChIKey is WJVLELWQRYCZGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN2O3S/c1-8(17)15-13-16-11(7-20-13)12(18)19-6-9-3-2-4-10(14)5-9/h2-5,7H,6H2,1H3,(H,15,16,17).
What are the key properties of (3-chlorophenyl)methyl 2-acetamido-1,3-thiazole-4-carboxylate?
(3-chlorophenyl)methyl 2-acetamido-1,3-thiazole-4-carboxylate has a molecular weight of 310.76 g/mol, XLogP of 3.11, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chlorophenyl)methyl 2-acetamido-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 46604902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).