2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]-N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]acetamide

C18H22ClN3O2S — CID 18189786

IUPAC2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]-N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]acetamide
SMILESCCN(CC(=O)NC(C)C)C(=O)Cc1csc(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C18H22ClN3O2S/c1-4-22(10-16(23)20-12(2)3)17(24)9-15-11-25-18(21-15)13-5-7-14(19)8-6-13/h5-8,11-12H,4,9-10H2,1-3H3,(H,20,23)
InChIKeyJAFYNXJGPLECAZ-UHFFFAOYSA-N
MW379.91 g/mol
LogP3.38
Rot. Bonds7

About 2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]-N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]acetamide

2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]-N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]acetamide (PubChem CID 18189786) has the molecular formula C18H22ClN3O2S and a molecular weight of 379.91 g/mol. Its IUPAC name is 2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]-N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]acetamide.

Molecular Properties

Compound Name2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]-N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]acetamide
PubChem CID18189786
Molecular FormulaC18H22ClN3O2S
Molecular Weight379.91 g/mol
Exact Mass379.11
IUPAC Name2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]-N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]acetamide
SMILESCCN(CC(=O)NC(C)C)C(=O)Cc1csc(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C18H22ClN3O2S/c1-4-22(10-16(23)20-12(2)3)17(24)9-15-11-25-18(21-15)13-5-7-14(19)8-6-13/h5-8,11-12H,4,9-10H2,1-3H3,(H,20,23)
InChIKeyJAFYNXJGPLECAZ-UHFFFAOYSA-N
XLogP3.38
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.91
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]-N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]acetamide with MolForge

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Related Compounds

N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethyl-2-(2-phenyl-1,3-thiazol-4-yl)acetamide
CID 24660665
N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-2-(4-propan-2-ylphenyl)-1,3-thiazole-4-carboxamide
CID 55554572
2-[ethyl-[[2-(4-propan-2-ylphenyl)-1,3-thiazol-4-yl]methyl]amino]-N-propan-2-ylacetamide
CID 55411702
2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]-N-(2-methylpropyl)acetamide
CID 32978171
3-[[2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]acetyl]amino]butanoic acid
CID 119220562
N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetamide
CID 18200316
3-[[2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]acetyl]-propan-2-ylamino]propanoic acid
CID 119206740
(2S)-2-[[2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]acetyl]amino]-3-methylbutanoic acid
CID 29131539
N-[2-(tert-butylamino)-2-oxoethyl]-N-ethyl-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide
CID 51217435
N-[(3-chlorophenyl)methyl]-N-ethyl-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetamide
CID 55594311
2-[[2-[(4-chlorophenyl)methylsulfanyl]acetyl]-ethylamino]-N-propan-2-ylacetamide
CID 24657890
N-[1-(4-chlorophenyl)-2,2-dihydroxyethyl]-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetamide
CID 146248223

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]-N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]acetamide?
The IUPAC name of 2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]-N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]acetamide (CID 18189786) is 2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]-N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]acetamide.
What is the SMILES notation for 2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]-N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]acetamide?
The canonical SMILES for 2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]-N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]acetamide is CCN(CC(=O)NC(C)C)C(=O)Cc1csc(-c2ccc(Cl)cc2)n1.
What is the InChIKey of 2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]-N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]acetamide?
The InChIKey is JAFYNXJGPLECAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClN3O2S/c1-4-22(10-16(23)20-12(2)3)17(24)9-15-11-25-18(21-15)13-5-7-14(19)8-6-13/h5-8,11-12H,4,9-10H2,1-3H3,(H,20,23).
What are the key properties of 2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]-N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]acetamide?
2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]-N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]acetamide has a molecular weight of 379.91 g/mol, XLogP of 3.38, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]-N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]acetamide is sourced from PubChem (CID 18189786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).