4-chloro-N-[3-oxo-3-[[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]amino]propyl]benzamide

C22H22ClN3O2S — CID 16550158

IUPAC4-chloro-N-[3-oxo-3-[[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]amino]propyl]benzamide
SMILESCc1cc(C)c(-c2csc(NC(=O)CCNC(=O)c3ccc(Cl)cc3)n2)c(C)c1
InChIInChI=1S/C22H22ClN3O2S/c1-13-10-14(2)20(15(3)11-13)18-12-29-22(25-18)26-19(27)8-9-24-21(28)16-4-6-17(23)7-5-16/h4-7,10-12H,8-9H2,1-3H3,(H,24,28)(H,25,26,27)
InChIKeyWBNRVYIJTBXHQM-UHFFFAOYSA-N
MW427.96 g/mol
LogP5.15
Rot. Bonds6

About 4-chloro-N-[3-oxo-3-[[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]amino]propyl]benzamide

4-chloro-N-[3-oxo-3-[[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]amino]propyl]benzamide (PubChem CID 16550158) has the molecular formula C22H22ClN3O2S and a molecular weight of 427.96 g/mol. Its IUPAC name is 4-chloro-N-[3-oxo-3-[[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]amino]propyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[3-oxo-3-[[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]amino]propyl]benzamide
PubChem CID16550158
Molecular FormulaC22H22ClN3O2S
Molecular Weight427.96 g/mol
Exact Mass427.11
IUPAC Name4-chloro-N-[3-oxo-3-[[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]amino]propyl]benzamide
SMILESCc1cc(C)c(-c2csc(NC(=O)CCNC(=O)c3ccc(Cl)cc3)n2)c(C)c1
InChIInChI=1S/C22H22ClN3O2S/c1-13-10-14(2)20(15(3)11-13)18-12-29-22(25-18)26-19(27)8-9-24-21(28)16-4-6-17(23)7-5-16/h4-7,10-12H,8-9H2,1-3H3,(H,24,28)(H,25,26,27)
InChIKeyWBNRVYIJTBXHQM-UHFFFAOYSA-N
XLogP5.15
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.96
LogP ≤ 55.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-chloro-N-[3-oxo-3-[[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]amino]propyl]benzamide with MolForge

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Related Compounds

N-[4-[(4-acetyl-1,3-thiazol-2-yl)amino]-4-oxobutyl]-4-chlorobenzamide
CID 26469275
2-(4-methylphenyl)-N-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]acetamide
CID 43951110
4-phenyl-N-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]benzamide
CID 4220609
tert-butyl N-[4-oxo-4-[[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]amino]butyl]carbamate
CID 8927471
4-chloro-N-[3-[3-(2-methyl-1,3-thiazol-4-yl)anilino]-3-oxopropyl]benzamide
CID 30858687
4-bromo-N-[3-[[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]amino]-3-oxopropyl]benzamide
CID 26207672
4-acetamido-N-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]benzamide;molecular hydrogen
CID 144822338
4-chloro-N-[3-(5-chloro-2-methylanilino)-3-oxopropyl]benzamide
CID 24647438
2-(4-fluorophenyl)-N-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]acetamide
CID 7597175
4-(4-methylphenyl)sulfonyl-N-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]butanamide
CID 41273352
3-(4-chlorophenyl)sulfanyl-N-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]propanamide
CID 7921833
N-[2-[[4-[4-(acetamidomethyl)phenyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-4-chlorobenzamide
CID 108762417

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[3-oxo-3-[[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]amino]propyl]benzamide?
The IUPAC name of 4-chloro-N-[3-oxo-3-[[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]amino]propyl]benzamide (CID 16550158) is 4-chloro-N-[3-oxo-3-[[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]amino]propyl]benzamide.
What is the SMILES notation for 4-chloro-N-[3-oxo-3-[[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]amino]propyl]benzamide?
The canonical SMILES for 4-chloro-N-[3-oxo-3-[[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]amino]propyl]benzamide is Cc1cc(C)c(-c2csc(NC(=O)CCNC(=O)c3ccc(Cl)cc3)n2)c(C)c1.
What is the InChIKey of 4-chloro-N-[3-oxo-3-[[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]amino]propyl]benzamide?
The InChIKey is WBNRVYIJTBXHQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22ClN3O2S/c1-13-10-14(2)20(15(3)11-13)18-12-29-22(25-18)26-19(27)8-9-24-21(28)16-4-6-17(23)7-5-16/h4-7,10-12H,8-9H2,1-3H3,(H,24,28)(H,25,26,27).
What are the key properties of 4-chloro-N-[3-oxo-3-[[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]amino]propyl]benzamide?
4-chloro-N-[3-oxo-3-[[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]amino]propyl]benzamide has a molecular weight of 427.96 g/mol, XLogP of 5.15, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[3-oxo-3-[[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]amino]propyl]benzamide is sourced from PubChem (CID 16550158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).