3-butyl-2-(4-chlorophenyl)-5-phenyl-2H-1,3-thiazole-4-carboxamide

C20H21ClN2OS — CID 174722983

IUPAC3-butyl-2-(4-chlorophenyl)-5-phenyl-2H-1,3-thiazole-4-carboxamide
SMILESCCCCN1C(C(N)=O)=C(c2ccccc2)SC1c1ccc(Cl)cc1
InChIInChI=1S/C20H21ClN2OS/c1-2-3-13-23-17(19(22)24)18(14-7-5-4-6-8-14)25-20(23)15-9-11-16(21)12-10-15/h4-12,20H,2-3,13H2,1H3,(H2,22,24)
InChIKeyCWHITLVVTIATRE-UHFFFAOYSA-N
MW372.92 g/mol
LogP5.04
Rot. Bonds6

About 3-butyl-2-(4-chlorophenyl)-5-phenyl-2H-1,3-thiazole-4-carboxamide

3-butyl-2-(4-chlorophenyl)-5-phenyl-2H-1,3-thiazole-4-carboxamide (PubChem CID 174722983) has the molecular formula C20H21ClN2OS and a molecular weight of 372.92 g/mol. Its IUPAC name is 3-butyl-2-(4-chlorophenyl)-5-phenyl-2H-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name3-butyl-2-(4-chlorophenyl)-5-phenyl-2H-1,3-thiazole-4-carboxamide
PubChem CID174722983
Molecular FormulaC20H21ClN2OS
Molecular Weight372.92 g/mol
Exact Mass372.11
IUPAC Name3-butyl-2-(4-chlorophenyl)-5-phenyl-2H-1,3-thiazole-4-carboxamide
SMILESCCCCN1C(C(N)=O)=C(c2ccccc2)SC1c1ccc(Cl)cc1
InChIInChI=1S/C20H21ClN2OS/c1-2-3-13-23-17(19(22)24)18(14-7-5-4-6-8-14)25-20(23)15-9-11-16(21)12-10-15/h4-12,20H,2-3,13H2,1H3,(H2,22,24)
InChIKeyCWHITLVVTIATRE-UHFFFAOYSA-N
XLogP5.04
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.92
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,6-dibutyl-1,5-bis(4-chlorophenyl)-1,5-dihydro-[1,2,4]triazolo[1,2-a][1,2,4]triazole-3,7-dione
CID 4307358
3-butyl-2-(4-chlorophenyl)-1,3-thiazinan-4-one
CID 3749093
3-butyl-2-phenyl-2H-1,3-benzothiazole
CID 162687849
(5R)-1-butyl-4-[(4-chlorophenyl)-hydroxymethylidene]-5-phenylpyrrolidine-2,3-dione
CID 7409274
(4E,5S)-1-butyl-4-[(4-chlorophenyl)-hydroxymethylidene]-5-phenylpyrrolidine-2,3-dione
CID 98409913
(5R)-4-[(4-chlorophenyl)-hydroxymethylidene]-1-hexyl-5-phenylpyrrolidine-2,3-dione
CID 29098034
(7R)-7-(4-chlorophenyl)-5-methyl-2-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 1192660
(6R,7R)-6-(4-chlorophenyl)-3-phenyl-N,N-dipropyl-6,7-dihydro-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine-7-carboxamide
CID 40980967
5-amino-1-butyl-6-(4-chlorophenyl)piperidin-2-one
CID 82193409
(4Z)-1-butyl-4-[(4-chlorophenyl)-hydroxymethylidene]-5-(4-fluorophenyl)pyrrolidine-2,3-dione
CID 108643330
ethyl 2-amino-3-butyl-4,6-diphenyl-4H-pyrimidine-5-carboxylate
CID 10691005
(1S,4S)-5-benzyl-7-butyl-2,3-dithia-5,7-diazabicyclo[2.2.2]octane-6,8-dione
CID 101399126

Frequently Asked Questions

What is the IUPAC name of 3-butyl-2-(4-chlorophenyl)-5-phenyl-2H-1,3-thiazole-4-carboxamide?
The IUPAC name of 3-butyl-2-(4-chlorophenyl)-5-phenyl-2H-1,3-thiazole-4-carboxamide (CID 174722983) is 3-butyl-2-(4-chlorophenyl)-5-phenyl-2H-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 3-butyl-2-(4-chlorophenyl)-5-phenyl-2H-1,3-thiazole-4-carboxamide?
The canonical SMILES for 3-butyl-2-(4-chlorophenyl)-5-phenyl-2H-1,3-thiazole-4-carboxamide is CCCCN1C(C(N)=O)=C(c2ccccc2)SC1c1ccc(Cl)cc1.
What is the InChIKey of 3-butyl-2-(4-chlorophenyl)-5-phenyl-2H-1,3-thiazole-4-carboxamide?
The InChIKey is CWHITLVVTIATRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN2OS/c1-2-3-13-23-17(19(22)24)18(14-7-5-4-6-8-14)25-20(23)15-9-11-16(21)12-10-15/h4-12,20H,2-3,13H2,1H3,(H2,22,24).
What are the key properties of 3-butyl-2-(4-chlorophenyl)-5-phenyl-2H-1,3-thiazole-4-carboxamide?
3-butyl-2-(4-chlorophenyl)-5-phenyl-2H-1,3-thiazole-4-carboxamide has a molecular weight of 372.92 g/mol, XLogP of 5.04, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butyl-2-(4-chlorophenyl)-5-phenyl-2H-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 174722983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).