2-(3-chlorophenyl)-N-ethyl-N-(2-hydroxyethyl)-4-methyl-1,3-thiazole-5-carboxamide

C15H17ClN2O2S — CID 78855413

IUPAC2-(3-chlorophenyl)-N-ethyl-N-(2-hydroxyethyl)-4-methyl-1,3-thiazole-5-carboxamide
SMILESCCN(CCO)C(=O)c1sc(-c2cccc(Cl)c2)nc1C
InChIInChI=1S/C15H17ClN2O2S/c1-3-18(7-8-19)15(20)13-10(2)17-14(21-13)11-5-4-6-12(16)9-11/h4-6,9,19H,3,7-8H2,1-2H3
InChIKeyHJZFBKBREFEYAQ-UHFFFAOYSA-N
MW324.83 g/mol
LogP3.23
Rot. Bonds5

About 2-(3-chlorophenyl)-N-ethyl-N-(2-hydroxyethyl)-4-methyl-1,3-thiazole-5-carboxamide

2-(3-chlorophenyl)-N-ethyl-N-(2-hydroxyethyl)-4-methyl-1,3-thiazole-5-carboxamide (PubChem CID 78855413) has the molecular formula C15H17ClN2O2S and a molecular weight of 324.83 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-N-ethyl-N-(2-hydroxyethyl)-4-methyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-(3-chlorophenyl)-N-ethyl-N-(2-hydroxyethyl)-4-methyl-1,3-thiazole-5-carboxamide
PubChem CID78855413
Molecular FormulaC15H17ClN2O2S
Molecular Weight324.83 g/mol
Exact Mass324.07
IUPAC Name2-(3-chlorophenyl)-N-ethyl-N-(2-hydroxyethyl)-4-methyl-1,3-thiazole-5-carboxamide
SMILESCCN(CCO)C(=O)c1sc(-c2cccc(Cl)c2)nc1C
InChIInChI=1S/C15H17ClN2O2S/c1-3-18(7-8-19)15(20)13-10(2)17-14(21-13)11-5-4-6-12(16)9-11/h4-6,9,19H,3,7-8H2,1-2H3
InChIKeyHJZFBKBREFEYAQ-UHFFFAOYSA-N
XLogP3.23
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.83
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-butyl-2-(3-chlorophenyl)-N-ethyl-4-methyl-1,3-thiazole-5-carboxamide
CID 134015239
2-(3-chlorophenyl)-N,N-bis(2-methoxyethyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 55439249
2-(3,4-dimethoxyphenyl)-N-ethyl-N-(2-hydroxyethyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 78855524
2-(3-chlorophenyl)-N-[4-(diethylcarbamoyl)phenyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 27674957
ethyl 2-(3-chlorophenyl)-4-methyl-1,3-thiazole-5-carboxylate
CID 50997801
2-(3-chlorophenyl)-N,4-dimethyl-N-[(2S)-3,3,3-trifluoro-2-hydroxypropyl]-1,3-thiazole-5-carboxamide
CID 97259892
N-(3-amino-3-oxopropyl)-2-(3-chlorophenyl)-N-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 99163895
[(2R)-1-oxo-1-(propylamino)propan-2-yl] 2-(3-chlorophenyl)-4-methyl-1,3-thiazole-5-carboxylate
CID 9064912
N-butyl-N-ethyl-4-methyl-2-pyridin-4-yl-1,3-thiazole-5-carboxamide
CID 39080817
2-(3-chlorophenyl)-N-(1,1-dioxothiolan-3-yl)-N,4-dimethyl-1,3-thiazole-5-carboxamide
CID 24679423
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-(3-chlorophenyl)-N,4-dimethyl-1,3-thiazole-5-carboxamide
CID 55388539
1-[4-[2-(3-chlorophenyl)-4-methyl-1,3-thiazole-5-carbonyl]piperazin-1-yl]ethanone
CID 34839345

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-N-ethyl-N-(2-hydroxyethyl)-4-methyl-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-(3-chlorophenyl)-N-ethyl-N-(2-hydroxyethyl)-4-methyl-1,3-thiazole-5-carboxamide (CID 78855413) is 2-(3-chlorophenyl)-N-ethyl-N-(2-hydroxyethyl)-4-methyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-(3-chlorophenyl)-N-ethyl-N-(2-hydroxyethyl)-4-methyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-(3-chlorophenyl)-N-ethyl-N-(2-hydroxyethyl)-4-methyl-1,3-thiazole-5-carboxamide is CCN(CCO)C(=O)c1sc(-c2cccc(Cl)c2)nc1C.
What is the InChIKey of 2-(3-chlorophenyl)-N-ethyl-N-(2-hydroxyethyl)-4-methyl-1,3-thiazole-5-carboxamide?
The InChIKey is HJZFBKBREFEYAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2O2S/c1-3-18(7-8-19)15(20)13-10(2)17-14(21-13)11-5-4-6-12(16)9-11/h4-6,9,19H,3,7-8H2,1-2H3.
What are the key properties of 2-(3-chlorophenyl)-N-ethyl-N-(2-hydroxyethyl)-4-methyl-1,3-thiazole-5-carboxamide?
2-(3-chlorophenyl)-N-ethyl-N-(2-hydroxyethyl)-4-methyl-1,3-thiazole-5-carboxamide has a molecular weight of 324.83 g/mol, XLogP of 3.23, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-N-ethyl-N-(2-hydroxyethyl)-4-methyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 78855413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).