3-chloro-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)pyridine-4-carboxamide

C15H12ClN3OS — CID 66483121

IUPAC3-chloro-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)pyridine-4-carboxamide
SMILESCc1cc(C)c2nc(NC(=O)c3ccncc3Cl)sc2c1
InChIInChI=1S/C15H12ClN3OS/c1-8-5-9(2)13-12(6-8)21-15(18-13)19-14(20)10-3-4-17-7-11(10)16/h3-7H,1-2H3,(H,18,19,20)
InChIKeyDJKWFJPWXAUHSI-UHFFFAOYSA-N
MW317.80 g/mol
LogP4.21
Rot. Bonds2

About 3-chloro-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)pyridine-4-carboxamide

3-chloro-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)pyridine-4-carboxamide (PubChem CID 66483121) has the molecular formula C15H12ClN3OS and a molecular weight of 317.80 g/mol. Its IUPAC name is 3-chloro-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)pyridine-4-carboxamide.

Molecular Properties

Compound Name3-chloro-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)pyridine-4-carboxamide
PubChem CID66483121
Molecular FormulaC15H12ClN3OS
Molecular Weight317.80 g/mol
Exact Mass317.04
IUPAC Name3-chloro-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)pyridine-4-carboxamide
SMILESCc1cc(C)c2nc(NC(=O)c3ccncc3Cl)sc2c1
InChIInChI=1S/C15H12ClN3OS/c1-8-5-9(2)13-12(6-8)21-15(18-13)19-14(20)10-3-4-17-7-11(10)16/h3-7H,1-2H3,(H,18,19,20)
InChIKeyDJKWFJPWXAUHSI-UHFFFAOYSA-N
XLogP4.21
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.80
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-5-iodobenzamide
CID 5218207
2-chloro-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-5-methylsulfonylbenzamide
CID 26264447
N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-2-fluorobenzamide
CID 813916
N-(4,6-dimethyl-1,3-benzothiazol-2-yl)benzamide
CID 4307053
3-chloro-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)pyridine-4-carboxamide
CID 66484720
5-bromo-2-chloro-N-[(4,6-dimethyl-1,3-benzothiazol-2-yl)carbamothioyl]benzamide
CID 17104567
3,5-dichloro-N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)benzamide
CID 42387615
N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-2-(2-phenylethyl)benzamide
CID 19226196
1-(4,6-dimethyl-1,3-benzothiazol-2-yl)-3-(3,5-dimethylphenyl)urea
CID 121080315
N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-3-iodobenzamide
CID 3318366
N-(4-chloro-1,3-benzothiazol-2-yl)-2,5-dimethylbenzamide
CID 3575126
3-bromo-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)benzamide
CID 1085238

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)pyridine-4-carboxamide?
The IUPAC name of 3-chloro-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)pyridine-4-carboxamide (CID 66483121) is 3-chloro-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)pyridine-4-carboxamide.
What is the SMILES notation for 3-chloro-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)pyridine-4-carboxamide?
The canonical SMILES for 3-chloro-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)pyridine-4-carboxamide is Cc1cc(C)c2nc(NC(=O)c3ccncc3Cl)sc2c1.
What is the InChIKey of 3-chloro-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)pyridine-4-carboxamide?
The InChIKey is DJKWFJPWXAUHSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClN3OS/c1-8-5-9(2)13-12(6-8)21-15(18-13)19-14(20)10-3-4-17-7-11(10)16/h3-7H,1-2H3,(H,18,19,20).
What are the key properties of 3-chloro-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)pyridine-4-carboxamide?
3-chloro-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)pyridine-4-carboxamide has a molecular weight of 317.80 g/mol, XLogP of 4.21, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)pyridine-4-carboxamide is sourced from PubChem (CID 66483121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).