2-chloro-N-[2-(4-methylanilino)-1,3-thiazol-5-yl]benzamide

C17H14ClN3OS — CID 87520018

IUPAC2-chloro-N-[2-(4-methylanilino)-1,3-thiazol-5-yl]benzamide
SMILESCc1ccc(Nc2ncc(NC(=O)c3ccccc3Cl)s2)cc1
InChIInChI=1S/C17H14ClN3OS/c1-11-6-8-12(9-7-11)20-17-19-10-15(23-17)21-16(22)13-4-2-3-5-14(13)18/h2-10H,1H3,(H,19,20)(H,21,22)
InChIKeyJYBRZMBRKOSHNU-UHFFFAOYSA-N
MW343.84 g/mol
LogP5.10
Rot. Bonds4

About 2-chloro-N-[2-(4-methylanilino)-1,3-thiazol-5-yl]benzamide

2-chloro-N-[2-(4-methylanilino)-1,3-thiazol-5-yl]benzamide (PubChem CID 87520018) has the molecular formula C17H14ClN3OS and a molecular weight of 343.84 g/mol. Its IUPAC name is 2-chloro-N-[2-(4-methylanilino)-1,3-thiazol-5-yl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[2-(4-methylanilino)-1,3-thiazol-5-yl]benzamide
PubChem CID87520018
Molecular FormulaC17H14ClN3OS
Molecular Weight343.84 g/mol
Exact Mass343.05
IUPAC Name2-chloro-N-[2-(4-methylanilino)-1,3-thiazol-5-yl]benzamide
SMILESCc1ccc(Nc2ncc(NC(=O)c3ccccc3Cl)s2)cc1
InChIInChI=1S/C17H14ClN3OS/c1-11-6-8-12(9-7-11)20-17-19-10-15(23-17)21-16(22)13-4-2-3-5-14(13)18/h2-10H,1H3,(H,19,20)(H,21,22)
InChIKeyJYBRZMBRKOSHNU-UHFFFAOYSA-N
XLogP5.10
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500343.84
LogP ≤ 55.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-N-[4-[[2-methyl-6-(4-methylanilino)pyrimidin-4-yl]amino]phenyl]benzamide
CID 46268011
N-[6-(4-acetamidoanilino)-3-pyridinyl]-2-chlorobenzamide
CID 113020563
N-(5-acetamido-2-pyridinyl)-2-chlorobenzamide
CID 1449171
2-methyl-N-(2-methyl-1,3-thiazol-5-yl)benzamide
CID 142696172
2-chloro-N-[6-(4-chloroanilino)pyridazin-3-yl]benzamide
CID 113047552
2-methoxy-N-[6-(4-methylanilino)-3-pyridinyl]benzamide
CID 113016337
2-chloro-N-[5-[1-(4-methylphenyl)ethylsulfamoyl]-1,3,4-thiadiazol-2-yl]benzamide
CID 133202722
2-methyl-N-[5-(4-methylanilino)-2-pyridinyl]benzamide
CID 113031534
3-chloro-N-(6-fluoro-3-pyridinyl)-2-methylbenzamide
CID 107143571
2-chloro-N-[5-[[(2R)-1-(4-methylphenoxy)propan-2-yl]sulfamoyl]-1,3,4-thiadiazol-2-yl]benzamide
CID 100625323
2-chloro-N-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)benzamide
CID 836558
[4-[(2-chlorobenzoyl)amino]phenyl] 4-methylbenzoate
CID 8917316

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-(4-methylanilino)-1,3-thiazol-5-yl]benzamide?
The IUPAC name of 2-chloro-N-[2-(4-methylanilino)-1,3-thiazol-5-yl]benzamide (CID 87520018) is 2-chloro-N-[2-(4-methylanilino)-1,3-thiazol-5-yl]benzamide.
What is the SMILES notation for 2-chloro-N-[2-(4-methylanilino)-1,3-thiazol-5-yl]benzamide?
The canonical SMILES for 2-chloro-N-[2-(4-methylanilino)-1,3-thiazol-5-yl]benzamide is Cc1ccc(Nc2ncc(NC(=O)c3ccccc3Cl)s2)cc1.
What is the InChIKey of 2-chloro-N-[2-(4-methylanilino)-1,3-thiazol-5-yl]benzamide?
The InChIKey is JYBRZMBRKOSHNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClN3OS/c1-11-6-8-12(9-7-11)20-17-19-10-15(23-17)21-16(22)13-4-2-3-5-14(13)18/h2-10H,1H3,(H,19,20)(H,21,22).
What are the key properties of 2-chloro-N-[2-(4-methylanilino)-1,3-thiazol-5-yl]benzamide?
2-chloro-N-[2-(4-methylanilino)-1,3-thiazol-5-yl]benzamide has a molecular weight of 343.84 g/mol, XLogP of 5.10, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-(4-methylanilino)-1,3-thiazol-5-yl]benzamide is sourced from PubChem (CID 87520018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).