2-(3-chlorophenyl)-N-[2-(2-ethylanilino)-2-oxoethyl]-N-methyl-1,3-thiazole-4-carboxamide

C21H20ClN3O2S — CID 55388630

IUPAC2-(3-chlorophenyl)-N-[2-(2-ethylanilino)-2-oxoethyl]-N-methyl-1,3-thiazole-4-carboxamide
SMILESCCc1ccccc1NC(=O)CN(C)C(=O)c1csc(-c2cccc(Cl)c2)n1
InChIInChI=1S/C21H20ClN3O2S/c1-3-14-7-4-5-10-17(14)23-19(26)12-25(2)21(27)18-13-28-20(24-18)15-8-6-9-16(22)11-15/h4-11,13H,3,12H2,1-2H3,(H,23,26)
InChIKeyQKZZQKBWQDVEFW-UHFFFAOYSA-N
MW413.93 g/mol
LogP4.74
Rot. Bonds6

About 2-(3-chlorophenyl)-N-[2-(2-ethylanilino)-2-oxoethyl]-N-methyl-1,3-thiazole-4-carboxamide

2-(3-chlorophenyl)-N-[2-(2-ethylanilino)-2-oxoethyl]-N-methyl-1,3-thiazole-4-carboxamide (PubChem CID 55388630) has the molecular formula C21H20ClN3O2S and a molecular weight of 413.93 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-N-[2-(2-ethylanilino)-2-oxoethyl]-N-methyl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(3-chlorophenyl)-N-[2-(2-ethylanilino)-2-oxoethyl]-N-methyl-1,3-thiazole-4-carboxamide
PubChem CID55388630
Molecular FormulaC21H20ClN3O2S
Molecular Weight413.93 g/mol
Exact Mass413.10
IUPAC Name2-(3-chlorophenyl)-N-[2-(2-ethylanilino)-2-oxoethyl]-N-methyl-1,3-thiazole-4-carboxamide
SMILESCCc1ccccc1NC(=O)CN(C)C(=O)c1csc(-c2cccc(Cl)c2)n1
InChIInChI=1S/C21H20ClN3O2S/c1-3-14-7-4-5-10-17(14)23-19(26)12-25(2)21(27)18-13-28-20(24-18)15-8-6-9-16(22)11-15/h4-11,13H,3,12H2,1-2H3,(H,23,26)
InChIKeyQKZZQKBWQDVEFW-UHFFFAOYSA-N
XLogP4.74
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.93
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(2-ethylanilino)-2-oxoethyl]-2-(4-ethylphenyl)-N-methyl-1,3-thiazole-4-carboxamide
CID 17460948
2-(3-chlorophenyl)-N-ethyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]-1,3-thiazole-4-carboxamide
CID 134059905
2-(3-chlorophenyl)-N-(2-hydroxy-2-methylpropyl)-N-methyl-1,3-thiazole-4-carboxamide
CID 111543202
2-(4-chlorophenyl)-N-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-1,3-thiazole-4-carboxamide
CID 51267675
N-[2-(cyclopropylamino)-2-oxoethyl]-N-methyl-2-phenyl-1,3-thiazole-4-carboxamide
CID 86907310
1-(3-chlorophenyl)-N-[2-(2-ethylanilino)-2-oxoethyl]-N,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide
CID 55332885
2-[butan-2-yl-[2-(3-chlorophenyl)-1,3-thiazole-4-carbonyl]amino]acetic acid
CID 119954742
4-chloro-N-[2-[[2-(2-ethylanilino)-2-oxoethyl]-methylamino]-2-oxoethyl]pyridine-2-carboxamide
CID 9378628
4-chloro-N-methyl-N-[2-(naphthalen-1-ylamino)-2-oxoethyl]pyridine-2-carboxamide
CID 9463211
N-[2-(4-chloroanilino)-2-oxoethyl]-N-methyl-2-thiophen-3-yl-1,3-thiazole-4-carboxamide
CID 9089274
2-(3-chlorophenyl)-N-[(2S)-1-cyanopropan-2-yl]-N-methyl-1,3-thiazole-4-carboxamide
CID 95145000
3-(3-chlorophenyl)-N-[2-(2-ethylanilino)-2-oxoethyl]-N-methylprop-2-enamide
CID 78756435

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-N-[2-(2-ethylanilino)-2-oxoethyl]-N-methyl-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(3-chlorophenyl)-N-[2-(2-ethylanilino)-2-oxoethyl]-N-methyl-1,3-thiazole-4-carboxamide (CID 55388630) is 2-(3-chlorophenyl)-N-[2-(2-ethylanilino)-2-oxoethyl]-N-methyl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(3-chlorophenyl)-N-[2-(2-ethylanilino)-2-oxoethyl]-N-methyl-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(3-chlorophenyl)-N-[2-(2-ethylanilino)-2-oxoethyl]-N-methyl-1,3-thiazole-4-carboxamide is CCc1ccccc1NC(=O)CN(C)C(=O)c1csc(-c2cccc(Cl)c2)n1.
What is the InChIKey of 2-(3-chlorophenyl)-N-[2-(2-ethylanilino)-2-oxoethyl]-N-methyl-1,3-thiazole-4-carboxamide?
The InChIKey is QKZZQKBWQDVEFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClN3O2S/c1-3-14-7-4-5-10-17(14)23-19(26)12-25(2)21(27)18-13-28-20(24-18)15-8-6-9-16(22)11-15/h4-11,13H,3,12H2,1-2H3,(H,23,26).
What are the key properties of 2-(3-chlorophenyl)-N-[2-(2-ethylanilino)-2-oxoethyl]-N-methyl-1,3-thiazole-4-carboxamide?
2-(3-chlorophenyl)-N-[2-(2-ethylanilino)-2-oxoethyl]-N-methyl-1,3-thiazole-4-carboxamide has a molecular weight of 413.93 g/mol, XLogP of 4.74, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-N-[2-(2-ethylanilino)-2-oxoethyl]-N-methyl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 55388630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).