N-(1,3-benzothiazol-2-yl)-5-(methylamino)pyridine-2-carboxamide

C14H12N4OS — CID 104639786

IUPACN-(1,3-benzothiazol-2-yl)-5-(methylamino)pyridine-2-carboxamide
SMILESCNc1ccc(C(=O)Nc2nc3ccccc3s2)nc1
InChIInChI=1S/C14H12N4OS/c1-15-9-6-7-11(16-8-9)13(19)18-14-17-10-4-2-3-5-12(10)20-14/h2-8,15H,1H3,(H,17,18,19)
InChIKeyXVSHOOVPPZGVDO-UHFFFAOYSA-N
MW284.34 g/mol
LogP2.99
Rot. Bonds3

About N-(1,3-benzothiazol-2-yl)-5-(methylamino)pyridine-2-carboxamide

N-(1,3-benzothiazol-2-yl)-5-(methylamino)pyridine-2-carboxamide (PubChem CID 104639786) has the molecular formula C14H12N4OS and a molecular weight of 284.34 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-yl)-5-(methylamino)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-2-yl)-5-(methylamino)pyridine-2-carboxamide
PubChem CID104639786
Molecular FormulaC14H12N4OS
Molecular Weight284.34 g/mol
Exact Mass284.07
IUPAC NameN-(1,3-benzothiazol-2-yl)-5-(methylamino)pyridine-2-carboxamide
SMILESCNc1ccc(C(=O)Nc2nc3ccccc3s2)nc1
InChIInChI=1S/C14H12N4OS/c1-15-9-6-7-11(16-8-9)13(19)18-14-17-10-4-2-3-5-12(10)20-14/h2-8,15H,1H3,(H,17,18,19)
InChIKeyXVSHOOVPPZGVDO-UHFFFAOYSA-N
XLogP2.99
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.34
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1,3-benzothiazol-2-yl)-5-chloropyrazine-2-carboxamide
CID 113264920
N-(1,3-benzothiazol-2-yl)-1,3-benzothiazole-2-carboxamide
CID 86264452
6-(1,3-benzothiazol-2-ylcarbamoyl)pyridine-2-carboxylic acid
CID 43558353
N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-5-(methylamino)pyridine-2-carboxamide
CID 104640909
5-(methylamino)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pyridine-2-carboxamide
CID 104640589
N,N'-bis(1,3-benzothiazol-2-yl)oxamide
CID 591706
5-(methylamino)-N-(1,3-thiazol-2-yl)pyridine-2-carboxamide
CID 104639863
2-amino-N-(1,3-benzothiazol-2-yl)benzamide
CID 828314
3,5-diacetamido-N-(1,3-benzothiazol-2-yl)benzamide
CID 35997967
1-(1,3-benzothiazol-2-yl)-3-methylurea;molecular hydrogen
CID 143832534
N-(1,3-benzothiazol-2-yl)-2-hydrazinylbenzamide
CID 62236744
2-amino-N-(1,3-benzothiazol-2-yl)pyridine-3-carboxamide
CID 848501

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-2-yl)-5-(methylamino)pyridine-2-carboxamide?
The IUPAC name of N-(1,3-benzothiazol-2-yl)-5-(methylamino)pyridine-2-carboxamide (CID 104639786) is N-(1,3-benzothiazol-2-yl)-5-(methylamino)pyridine-2-carboxamide.
What is the SMILES notation for N-(1,3-benzothiazol-2-yl)-5-(methylamino)pyridine-2-carboxamide?
The canonical SMILES for N-(1,3-benzothiazol-2-yl)-5-(methylamino)pyridine-2-carboxamide is CNc1ccc(C(=O)Nc2nc3ccccc3s2)nc1.
What is the InChIKey of N-(1,3-benzothiazol-2-yl)-5-(methylamino)pyridine-2-carboxamide?
The InChIKey is XVSHOOVPPZGVDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4OS/c1-15-9-6-7-11(16-8-9)13(19)18-14-17-10-4-2-3-5-12(10)20-14/h2-8,15H,1H3,(H,17,18,19).
What are the key properties of N-(1,3-benzothiazol-2-yl)-5-(methylamino)pyridine-2-carboxamide?
N-(1,3-benzothiazol-2-yl)-5-(methylamino)pyridine-2-carboxamide has a molecular weight of 284.34 g/mol, XLogP of 2.99, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzothiazol-2-yl)-5-(methylamino)pyridine-2-carboxamide is sourced from PubChem (CID 104639786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).