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

C13H10N4OS — CID 848501

IUPAC2-amino-N-(1,3-benzothiazol-2-yl)pyridine-3-carboxamide
SMILESNc1ncccc1C(=O)Nc1nc2ccccc2s1
InChIInChI=1S/C13H10N4OS/c14-11-8(4-3-7-15-11)12(18)17-13-16-9-5-1-2-6-10(9)19-13/h1-7H,(H2,14,15)(H,16,17,18)
InChIKeyWERKVBGYXJYQHS-UHFFFAOYSA-N
MW270.32 g/mol
LogP2.53
Rot. Bonds2

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

2-amino-N-(1,3-benzothiazol-2-yl)pyridine-3-carboxamide (PubChem CID 848501) has the molecular formula C13H10N4OS and a molecular weight of 270.32 g/mol. Its IUPAC name is 2-amino-N-(1,3-benzothiazol-2-yl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-amino-N-(1,3-benzothiazol-2-yl)pyridine-3-carboxamide
PubChem CID848501
Molecular FormulaC13H10N4OS
Molecular Weight270.32 g/mol
Exact Mass270.06
IUPAC Name2-amino-N-(1,3-benzothiazol-2-yl)pyridine-3-carboxamide
SMILESNc1ncccc1C(=O)Nc1nc2ccccc2s1
InChIInChI=1S/C13H10N4OS/c14-11-8(4-3-7-15-11)12(18)17-13-16-9-5-1-2-6-10(9)19-13/h1-7H,(H2,14,15)(H,16,17,18)
InChIKeyWERKVBGYXJYQHS-UHFFFAOYSA-N
XLogP2.53
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.32
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-N-(1,3-benzothiazol-2-yl)benzamide
CID 828314
2-amino-N-(1,3-benzothiazol-2-yl)-5-bromopyridine-3-carboxamide
CID 62153414
N-(1,3-benzothiazol-2-yl)-2-hydrazinylbenzamide
CID 62236744
5-amino-N-(1,3-benzothiazol-2-yl)-1H-pyrazole-4-carboxamide
CID 45482651
2-amino-N-(1,3-benzothiazol-2-yl)-5-chlorobenzamide
CID 29284368
2-amino-N-(1,3-benzothiazol-2-yl)-4-bromobenzamide
CID 79713852
N-(1,3-benzothiazol-2-yl)-1,3-benzothiazole-2-carboxamide
CID 86264452
3,5-diamino-N-(1,3-benzothiazol-2-yl)benzamide
CID 61092934
N,N'-bis(1,3-benzothiazol-2-yl)oxamide
CID 591706
3-amino-N-(1,3-benzothiazol-2-yl)-1H-1,2,4-triazole-5-carboxamide
CID 62807877
N-(1,3-benzothiazol-2-yl)-2-chloro-5-hydroxybenzamide
CID 106501274
2-amino-N-(4-methyl-1,3-thiazol-2-yl)pyridine-3-carboxamide
CID 62060816

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(1,3-benzothiazol-2-yl)pyridine-3-carboxamide?
The IUPAC name of 2-amino-N-(1,3-benzothiazol-2-yl)pyridine-3-carboxamide (CID 848501) is 2-amino-N-(1,3-benzothiazol-2-yl)pyridine-3-carboxamide.
What is the SMILES notation for 2-amino-N-(1,3-benzothiazol-2-yl)pyridine-3-carboxamide?
The canonical SMILES for 2-amino-N-(1,3-benzothiazol-2-yl)pyridine-3-carboxamide is Nc1ncccc1C(=O)Nc1nc2ccccc2s1.
What is the InChIKey of 2-amino-N-(1,3-benzothiazol-2-yl)pyridine-3-carboxamide?
The InChIKey is WERKVBGYXJYQHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N4OS/c14-11-8(4-3-7-15-11)12(18)17-13-16-9-5-1-2-6-10(9)19-13/h1-7H,(H2,14,15)(H,16,17,18).
What are the key properties of 2-amino-N-(1,3-benzothiazol-2-yl)pyridine-3-carboxamide?
2-amino-N-(1,3-benzothiazol-2-yl)pyridine-3-carboxamide has a molecular weight of 270.32 g/mol, XLogP of 2.53, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(1,3-benzothiazol-2-yl)pyridine-3-carboxamide is sourced from PubChem (CID 848501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).