2-(1,3-benzothiazol-2-yl)-N-(3,4-dimethylphenyl)pyridine-3-carboxamide

C21H17N3OS — CID 18858890

IUPAC2-(1,3-benzothiazol-2-yl)-N-(3,4-dimethylphenyl)pyridine-3-carboxamide
SMILESCc1ccc(NC(=O)c2cccnc2-c2nc3ccccc3s2)cc1C
InChIInChI=1S/C21H17N3OS/c1-13-9-10-15(12-14(13)2)23-20(25)16-6-5-11-22-19(16)21-24-17-7-3-4-8-18(17)26-21/h3-12H,1-2H3,(H,23,25)
InChIKeyRVYCMRUEILCRFP-UHFFFAOYSA-N
MW359.45 g/mol
LogP5.23
Rot. Bonds3

About 2-(1,3-benzothiazol-2-yl)-N-(3,4-dimethylphenyl)pyridine-3-carboxamide

2-(1,3-benzothiazol-2-yl)-N-(3,4-dimethylphenyl)pyridine-3-carboxamide (PubChem CID 18858890) has the molecular formula C21H17N3OS and a molecular weight of 359.45 g/mol. Its IUPAC name is 2-(1,3-benzothiazol-2-yl)-N-(3,4-dimethylphenyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-(1,3-benzothiazol-2-yl)-N-(3,4-dimethylphenyl)pyridine-3-carboxamide
PubChem CID18858890
Molecular FormulaC21H17N3OS
Molecular Weight359.45 g/mol
Exact Mass359.11
IUPAC Name2-(1,3-benzothiazol-2-yl)-N-(3,4-dimethylphenyl)pyridine-3-carboxamide
SMILESCc1ccc(NC(=O)c2cccnc2-c2nc3ccccc3s2)cc1C
InChIInChI=1S/C21H17N3OS/c1-13-9-10-15(12-14(13)2)23-20(25)16-6-5-11-22-19(16)21-24-17-7-3-4-8-18(17)26-21/h3-12H,1-2H3,(H,23,25)
InChIKeyRVYCMRUEILCRFP-UHFFFAOYSA-N
XLogP5.23
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.45
LogP ≤ 55.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1,3-benzothiazol-2-yl)-N-(3-methoxyphenyl)pyridine-3-carboxamide
CID 7693813
2-(1,3-benzothiazol-2-yl)-N-(2,3-dimethylphenyl)pyridine-3-carboxamide
CID 18858868
2-(1,3-benzothiazol-2-yl)-N-(4-methyl-1,3-thiazol-2-yl)pyridine-3-carboxamide
CID 18858969
2-(1,3-benzothiazol-2-yl)-N-(2,5-dimethoxyphenyl)pyridine-3-carboxamide
CID 18858869
2-(1,3-benzothiazol-2-yl)-N-(2,4-dimethoxyphenyl)pyridine-3-carboxamide
CID 18858904
1-[4-(1,3-benzothiazol-2-yl)phenyl]-3-(3,4-dimethylphenyl)urea
CID 46381130
2-(1,3-benzothiazol-2-yl)-N',N'-diphenylpyridine-3-carbohydrazide
CID 18858913
N-(3,4-dimethylphenyl)-2-(methylamino)pyridine-3-carboxamide
CID 62173357
2-(1,3-benzothiazol-2-yl)-N-(5-nitro-1,3-thiazol-2-yl)pyridine-3-carboxamide
CID 18858870
2-(1,3-benzothiazol-2-yl)-N-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)pyridine-3-carboxamide
CID 7631874
2-[2-(1,3-benzothiazol-2-yl)phenoxy]-N-(3,4-dimethylphenyl)acetamide
CID 2101991
3-(1,3-benzothiazol-2-yl)-N-[3-(phenylcarbamoylamino)phenyl]pyrazine-2-carboxamide
CID 24676182

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzothiazol-2-yl)-N-(3,4-dimethylphenyl)pyridine-3-carboxamide?
The IUPAC name of 2-(1,3-benzothiazol-2-yl)-N-(3,4-dimethylphenyl)pyridine-3-carboxamide (CID 18858890) is 2-(1,3-benzothiazol-2-yl)-N-(3,4-dimethylphenyl)pyridine-3-carboxamide.
What is the SMILES notation for 2-(1,3-benzothiazol-2-yl)-N-(3,4-dimethylphenyl)pyridine-3-carboxamide?
The canonical SMILES for 2-(1,3-benzothiazol-2-yl)-N-(3,4-dimethylphenyl)pyridine-3-carboxamide is Cc1ccc(NC(=O)c2cccnc2-c2nc3ccccc3s2)cc1C.
What is the InChIKey of 2-(1,3-benzothiazol-2-yl)-N-(3,4-dimethylphenyl)pyridine-3-carboxamide?
The InChIKey is RVYCMRUEILCRFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N3OS/c1-13-9-10-15(12-14(13)2)23-20(25)16-6-5-11-22-19(16)21-24-17-7-3-4-8-18(17)26-21/h3-12H,1-2H3,(H,23,25).
What are the key properties of 2-(1,3-benzothiazol-2-yl)-N-(3,4-dimethylphenyl)pyridine-3-carboxamide?
2-(1,3-benzothiazol-2-yl)-N-(3,4-dimethylphenyl)pyridine-3-carboxamide has a molecular weight of 359.45 g/mol, XLogP of 5.23, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzothiazol-2-yl)-N-(3,4-dimethylphenyl)pyridine-3-carboxamide is sourced from PubChem (CID 18858890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).