N-(1,3-benzothiazol-6-yl)-5-(methylamino)pyridine-2-carboxamide

C14H12N4OS — CID 107801394

IUPACN-(1,3-benzothiazol-6-yl)-5-(methylamino)pyridine-2-carboxamide
SMILESCNc1ccc(C(=O)Nc2ccc3ncsc3c2)nc1
InChIInChI=1S/C14H12N4OS/c1-15-10-3-5-12(16-7-10)14(19)18-9-2-4-11-13(6-9)20-8-17-11/h2-8,15H,1H3,(H,18,19)
InChIKeyWMEAMPKSXPSGRA-UHFFFAOYSA-N
MW284.34 g/mol
LogP2.99
Rot. Bonds3

About N-(1,3-benzothiazol-6-yl)-5-(methylamino)pyridine-2-carboxamide

N-(1,3-benzothiazol-6-yl)-5-(methylamino)pyridine-2-carboxamide (PubChem CID 107801394) has the molecular formula C14H12N4OS and a molecular weight of 284.34 g/mol. Its IUPAC name is N-(1,3-benzothiazol-6-yl)-5-(methylamino)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-6-yl)-5-(methylamino)pyridine-2-carboxamide
PubChem CID107801394
Molecular FormulaC14H12N4OS
Molecular Weight284.34 g/mol
Exact Mass284.07
IUPAC NameN-(1,3-benzothiazol-6-yl)-5-(methylamino)pyridine-2-carboxamide
SMILESCNc1ccc(C(=O)Nc2ccc3ncsc3c2)nc1
InChIInChI=1S/C14H12N4OS/c1-15-10-3-5-12(16-7-10)14(19)18-9-2-4-11-13(6-9)20-8-17-11/h2-8,15H,1H3,(H,18,19)
InChIKeyWMEAMPKSXPSGRA-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

6-amino-N-(1,3-benzothiazol-6-yl)pyridazine-3-carboxamide
CID 107801365
N-(3,4-dichlorophenyl)-5-(methylamino)pyridine-2-carboxamide
CID 104639765
N-(1,3-benzothiazol-6-yl)-4-methylbenzamide
CID 2337792
N-(1,3-benzothiazol-6-yl)-4-chloro-6-methylpyridine-3-carboxamide
CID 103893877
N-(1,3-benzothiazol-6-yl)-3,5-dihydroxybenzamide
CID 104938868
N-(1,3-benzothiazol-6-yl)-5-chlorofuran-2-carboxamide
CID 113223158
N-(1,3-benzothiazol-6-yl)-3-bromo-2-methylbenzamide
CID 103706834
2-(1-aminoethyl)-N-(1,3-benzothiazol-6-yl)-1,3-thiazole-4-carboxamide
CID 107805126
N-(1,3-benzothiazol-6-yl)-2,3-dimethoxybenzamide
CID 18585483
N-(1,3-benzothiazol-6-yl)-2-(methylamino)propanamide
CID 107805211
N-(3,5-dichlorophenyl)-5-(methylamino)pyridine-2-carboxamide
CID 104639754
3-amino-N-(1,3-benzothiazol-6-yl)-2-methylbenzamide
CID 107802503

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-6-yl)-5-(methylamino)pyridine-2-carboxamide?
The IUPAC name of N-(1,3-benzothiazol-6-yl)-5-(methylamino)pyridine-2-carboxamide (CID 107801394) is N-(1,3-benzothiazol-6-yl)-5-(methylamino)pyridine-2-carboxamide.
What is the SMILES notation for N-(1,3-benzothiazol-6-yl)-5-(methylamino)pyridine-2-carboxamide?
The canonical SMILES for N-(1,3-benzothiazol-6-yl)-5-(methylamino)pyridine-2-carboxamide is CNc1ccc(C(=O)Nc2ccc3ncsc3c2)nc1.
What is the InChIKey of N-(1,3-benzothiazol-6-yl)-5-(methylamino)pyridine-2-carboxamide?
The InChIKey is WMEAMPKSXPSGRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4OS/c1-15-10-3-5-12(16-7-10)14(19)18-9-2-4-11-13(6-9)20-8-17-11/h2-8,15H,1H3,(H,18,19).
What are the key properties of N-(1,3-benzothiazol-6-yl)-5-(methylamino)pyridine-2-carboxamide?
N-(1,3-benzothiazol-6-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-6-yl)-5-(methylamino)pyridine-2-carboxamide is sourced from PubChem (CID 107801394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).