3-chloro-5-(4-methyl-3-pyridinyl)-N-(4-methyl-1,3-thiazol-2-yl)benzamide

C17H14ClN3OS — CID 172523643

IUPAC3-chloro-5-(4-methyl-3-pyridinyl)-N-(4-methyl-1,3-thiazol-2-yl)benzamide
SMILESCc1csc(NC(=O)c2cc(Cl)cc(-c3cnccc3C)c2)n1
InChIInChI=1S/C17H14ClN3OS/c1-10-3-4-19-8-15(10)12-5-13(7-14(18)6-12)16(22)21-17-20-11(2)9-23-17/h3-9H,1-2H3,(H,20,21,22)
InChIKeyXVWKZAVFNRXBHH-UHFFFAOYSA-N
MW343.84 g/mol
LogP4.73
Rot. Bonds3

About 3-chloro-5-(4-methyl-3-pyridinyl)-N-(4-methyl-1,3-thiazol-2-yl)benzamide

3-chloro-5-(4-methyl-3-pyridinyl)-N-(4-methyl-1,3-thiazol-2-yl)benzamide (PubChem CID 172523643) has the molecular formula C17H14ClN3OS and a molecular weight of 343.84 g/mol. Its IUPAC name is 3-chloro-5-(4-methyl-3-pyridinyl)-N-(4-methyl-1,3-thiazol-2-yl)benzamide.

Molecular Properties

Compound Name3-chloro-5-(4-methyl-3-pyridinyl)-N-(4-methyl-1,3-thiazol-2-yl)benzamide
PubChem CID172523643
Molecular FormulaC17H14ClN3OS
Molecular Weight343.84 g/mol
Exact Mass343.05
IUPAC Name3-chloro-5-(4-methyl-3-pyridinyl)-N-(4-methyl-1,3-thiazol-2-yl)benzamide
SMILESCc1csc(NC(=O)c2cc(Cl)cc(-c3cnccc3C)c2)n1
InChIInChI=1S/C17H14ClN3OS/c1-10-3-4-19-8-15(10)12-5-13(7-14(18)6-12)16(22)21-17-20-11(2)9-23-17/h3-9H,1-2H3,(H,20,21,22)
InChIKeyXVWKZAVFNRXBHH-UHFFFAOYSA-N
XLogP4.73
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.84
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-fluoro-5-(4-methyl-3-pyridinyl)-N-(4-methyl-1,3-thiazol-2-yl)benzamide
CID 167518263
5-chloro-4-(4-methyl-3-pyridinyl)-N-(4-methyl-1,3-thiazol-2-yl)pyridine-2-carboxamide
CID 171091225
7-(4-methyl-3-pyridinyl)-N-(4-methyl-1,3-thiazol-2-yl)-1,3-benzothiazole-5-carboxamide
CID 171092022
3,5-dichloro-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)benzamide
CID 5159271
3,5-dimethyl-N-(4-methyl-1,3-thiazol-2-yl)benzamide
CID 1246749
3,5-dichloro-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]benzamide
CID 2562898
N-(4-methyl-1,3-thiazol-2-yl)-5-pyridin-3-yloxypyridine-3-carboxamide
CID 86762172
N-(4-methyl-1,3-thiazol-2-yl)-4-pyrimidin-5-ylbenzamide
CID 56857360
5,6-dichloro-N-(4-methyl-1,3-thiazol-2-yl)pyridine-3-carboxamide
CID 7959065
2-methoxy-N-[4-(4-methyl-3-pyridinyl)-1,3-thiazol-2-yl]pyrimidine-5-carboxamide
CID 162387055
2-bromo-4-chloro-N-(4-methyl-1,3-thiazol-2-yl)benzamide
CID 103763238
4-bromo-N-(4-methyl-1,3-thiazol-2-yl)benzamide
CID 683754

Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-(4-methyl-3-pyridinyl)-N-(4-methyl-1,3-thiazol-2-yl)benzamide?
The IUPAC name of 3-chloro-5-(4-methyl-3-pyridinyl)-N-(4-methyl-1,3-thiazol-2-yl)benzamide (CID 172523643) is 3-chloro-5-(4-methyl-3-pyridinyl)-N-(4-methyl-1,3-thiazol-2-yl)benzamide.
What is the SMILES notation for 3-chloro-5-(4-methyl-3-pyridinyl)-N-(4-methyl-1,3-thiazol-2-yl)benzamide?
The canonical SMILES for 3-chloro-5-(4-methyl-3-pyridinyl)-N-(4-methyl-1,3-thiazol-2-yl)benzamide is Cc1csc(NC(=O)c2cc(Cl)cc(-c3cnccc3C)c2)n1.
What is the InChIKey of 3-chloro-5-(4-methyl-3-pyridinyl)-N-(4-methyl-1,3-thiazol-2-yl)benzamide?
The InChIKey is XVWKZAVFNRXBHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClN3OS/c1-10-3-4-19-8-15(10)12-5-13(7-14(18)6-12)16(22)21-17-20-11(2)9-23-17/h3-9H,1-2H3,(H,20,21,22).
What are the key properties of 3-chloro-5-(4-methyl-3-pyridinyl)-N-(4-methyl-1,3-thiazol-2-yl)benzamide?
3-chloro-5-(4-methyl-3-pyridinyl)-N-(4-methyl-1,3-thiazol-2-yl)benzamide has a molecular weight of 343.84 g/mol, XLogP of 4.73, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-(4-methyl-3-pyridinyl)-N-(4-methyl-1,3-thiazol-2-yl)benzamide is sourced from PubChem (CID 172523643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).