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

C13H9ClN4OS — CID 62151620

IUPAC6-amino-N-(6-chloro-1,3-benzothiazol-2-yl)pyridine-3-carboxamide
SMILESNc1ccc(C(=O)Nc2nc3ccc(Cl)cc3s2)cn1
InChIInChI=1S/C13H9ClN4OS/c14-8-2-3-9-10(5-8)20-13(17-9)18-12(19)7-1-4-11(15)16-6-7/h1-6H,(H2,15,16)(H,17,18,19)
InChIKeyUSLXJMPGTOXCCQ-UHFFFAOYSA-N
MW304.76 g/mol
LogP3.18
Rot. Bonds2

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

6-amino-N-(6-chloro-1,3-benzothiazol-2-yl)pyridine-3-carboxamide (PubChem CID 62151620) has the molecular formula C13H9ClN4OS and a molecular weight of 304.76 g/mol. Its IUPAC name is 6-amino-N-(6-chloro-1,3-benzothiazol-2-yl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-amino-N-(6-chloro-1,3-benzothiazol-2-yl)pyridine-3-carboxamide
PubChem CID62151620
Molecular FormulaC13H9ClN4OS
Molecular Weight304.76 g/mol
Exact Mass304.02
IUPAC Name6-amino-N-(6-chloro-1,3-benzothiazol-2-yl)pyridine-3-carboxamide
SMILESNc1ccc(C(=O)Nc2nc3ccc(Cl)cc3s2)cn1
InChIInChI=1S/C13H9ClN4OS/c14-8-2-3-9-10(5-8)20-13(17-9)18-12(19)7-1-4-11(15)16-6-7/h1-6H,(H2,15,16)(H,17,18,19)
InChIKeyUSLXJMPGTOXCCQ-UHFFFAOYSA-N
XLogP3.18
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.76
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-N-(6-chloro-1,3-benzothiazol-2-yl)benzamide
CID 739315
3,5-diamino-N-(6-chloro-1,3-benzothiazol-2-yl)benzamide
CID 61091396
3-amino-N-(6-chloro-1,3-benzothiazol-2-yl)-4-fluorobenzamide
CID 43436936
N-(6-chloro-1,3-benzothiazol-2-yl)-4-fluoro-3-sulfanylbenzamide
CID 107020053
1-N,2-N-bis(6-chloro-1,3-benzothiazol-2-yl)benzene-1,2-dicarboxamide
CID 4651435
2-N,5-N-bis(6-methyl-1,3-benzothiazol-2-yl)pyridine-2,5-dicarboxamide
CID 4652334
N-(6-chloro-1,3-benzothiazol-2-yl)-3-iodobenzamide
CID 3606712
2-acetamido-N-(6-chloro-1,3-benzothiazol-2-yl)pyridine-4-carboxamide
CID 108739147
N-(6-amino-1,3-benzothiazol-2-yl)-3,5-dichlorobenzamide
CID 29302670
N-(6-chloro-1,3-benzothiazol-2-yl)-4-(1,3-dithiolan-2-yl)benzamide
CID 8582473
N-(6-chloro-1,3-benzothiazol-2-yl)-3-(chloromethyl)benzamide
CID 43156338
N-(6-chloro-1,3-benzothiazol-2-yl)-2,3,4,5,6-pentafluorobenzamide
CID 5136272

Frequently Asked Questions

What is the IUPAC name of 6-amino-N-(6-chloro-1,3-benzothiazol-2-yl)pyridine-3-carboxamide?
The IUPAC name of 6-amino-N-(6-chloro-1,3-benzothiazol-2-yl)pyridine-3-carboxamide (CID 62151620) is 6-amino-N-(6-chloro-1,3-benzothiazol-2-yl)pyridine-3-carboxamide.
What is the SMILES notation for 6-amino-N-(6-chloro-1,3-benzothiazol-2-yl)pyridine-3-carboxamide?
The canonical SMILES for 6-amino-N-(6-chloro-1,3-benzothiazol-2-yl)pyridine-3-carboxamide is Nc1ccc(C(=O)Nc2nc3ccc(Cl)cc3s2)cn1.
What is the InChIKey of 6-amino-N-(6-chloro-1,3-benzothiazol-2-yl)pyridine-3-carboxamide?
The InChIKey is USLXJMPGTOXCCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClN4OS/c14-8-2-3-9-10(5-8)20-13(17-9)18-12(19)7-1-4-11(15)16-6-7/h1-6H,(H2,15,16)(H,17,18,19).
What are the key properties of 6-amino-N-(6-chloro-1,3-benzothiazol-2-yl)pyridine-3-carboxamide?
6-amino-N-(6-chloro-1,3-benzothiazol-2-yl)pyridine-3-carboxamide has a molecular weight of 304.76 g/mol, XLogP of 3.18, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-N-(6-chloro-1,3-benzothiazol-2-yl)pyridine-3-carboxamide is sourced from PubChem (CID 62151620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).