2-chloro-4-[[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetyl]amino]benzamide

C19H16ClN3O2S — CID 39170378

IUPAC2-chloro-4-[[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetyl]amino]benzamide
SMILESCc1ccc(-c2nc(CC(=O)Nc3ccc(C(N)=O)c(Cl)c3)cs2)cc1
InChIInChI=1S/C19H16ClN3O2S/c1-11-2-4-12(5-3-11)19-23-14(10-26-19)9-17(24)22-13-6-7-15(18(21)25)16(20)8-13/h2-8,10H,9H2,1H3,(H2,21,25)(H,22,24)
InChIKeyCPGAJNCFWSEGQU-UHFFFAOYSA-N
MW385.88 g/mol
LogP4.05
Rot. Bonds5

About 2-chloro-4-[[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetyl]amino]benzamide

2-chloro-4-[[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetyl]amino]benzamide (PubChem CID 39170378) has the molecular formula C19H16ClN3O2S and a molecular weight of 385.88 g/mol. Its IUPAC name is 2-chloro-4-[[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetyl]amino]benzamide.

Molecular Properties

Compound Name2-chloro-4-[[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetyl]amino]benzamide
PubChem CID39170378
Molecular FormulaC19H16ClN3O2S
Molecular Weight385.88 g/mol
Exact Mass385.07
IUPAC Name2-chloro-4-[[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetyl]amino]benzamide
SMILESCc1ccc(-c2nc(CC(=O)Nc3ccc(C(N)=O)c(Cl)c3)cs2)cc1
InChIInChI=1S/C19H16ClN3O2S/c1-11-2-4-12(5-3-11)19-23-14(10-26-19)9-17(24)22-13-6-7-15(18(21)25)16(20)8-13/h2-8,10H,9H2,1H3,(H2,21,25)(H,22,24)
InChIKeyCPGAJNCFWSEGQU-UHFFFAOYSA-N
XLogP4.05
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.88
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-chlorophenyl)-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetamide
CID 8777109
N-(3-chloro-4-methylphenyl)-2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]acetamide
CID 7900431
N-(1,3-benzodioxol-5-yl)-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetamide
CID 8776935
2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]-N-(4-methylsulfonylphenyl)acetamide
CID 9455853
2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]-N-(5-methyl-2-pyridinyl)acetamide
CID 35025092
2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]-N-(4-methylphenyl)acetamide
CID 55569763
4-[[2-(2-amino-1,3-thiazol-4-yl)acetyl]amino]-2-chlorobenzoic acid
CID 62800000
N-(3-chloro-4-methoxyphenyl)-2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]acetamide
CID 46585965
N-(4-chloro-2-fluorophenyl)-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetamide
CID 8777429
2-chloro-N-ethyl-4-[[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]benzamide
CID 131937813
2-chloro-4-[[2-(2-ethyl-1,3-thiazol-4-yl)acetyl]amino]benzoic acid
CID 71916844
N-[3-chloro-4-(dimethylamino)phenyl]-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide
CID 55825141

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetyl]amino]benzamide?
The IUPAC name of 2-chloro-4-[[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetyl]amino]benzamide (CID 39170378) is 2-chloro-4-[[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetyl]amino]benzamide.
What is the SMILES notation for 2-chloro-4-[[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetyl]amino]benzamide?
The canonical SMILES for 2-chloro-4-[[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetyl]amino]benzamide is Cc1ccc(-c2nc(CC(=O)Nc3ccc(C(N)=O)c(Cl)c3)cs2)cc1.
What is the InChIKey of 2-chloro-4-[[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetyl]amino]benzamide?
The InChIKey is CPGAJNCFWSEGQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClN3O2S/c1-11-2-4-12(5-3-11)19-23-14(10-26-19)9-17(24)22-13-6-7-15(18(21)25)16(20)8-13/h2-8,10H,9H2,1H3,(H2,21,25)(H,22,24).
What are the key properties of 2-chloro-4-[[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetyl]amino]benzamide?
2-chloro-4-[[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetyl]amino]benzamide has a molecular weight of 385.88 g/mol, XLogP of 4.05, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-[[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetyl]amino]benzamide is sourced from PubChem (CID 39170378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).