5-(methylamino)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pyridine-2-carboxamide

C14H16N4OS — CID 104640589

IUPAC5-(methylamino)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pyridine-2-carboxamide
SMILESCNc1ccc(C(=O)Nc2nc3c(s2)CCCC3)nc1
InChIInChI=1S/C14H16N4OS/c1-15-9-6-7-11(16-8-9)13(19)18-14-17-10-4-2-3-5-12(10)20-14/h6-8,15H,2-5H2,1H3,(H,17,18,19)
InChIKeyWZQXARSZMJSFLA-UHFFFAOYSA-N
MW288.38 g/mol
LogP2.71
Rot. Bonds3

About 5-(methylamino)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pyridine-2-carboxamide

5-(methylamino)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pyridine-2-carboxamide (PubChem CID 104640589) has the molecular formula C14H16N4OS and a molecular weight of 288.38 g/mol. Its IUPAC name is 5-(methylamino)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pyridine-2-carboxamide.

Molecular Properties

Compound Name5-(methylamino)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pyridine-2-carboxamide
PubChem CID104640589
Molecular FormulaC14H16N4OS
Molecular Weight288.38 g/mol
Exact Mass288.10
IUPAC Name5-(methylamino)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pyridine-2-carboxamide
SMILESCNc1ccc(C(=O)Nc2nc3c(s2)CCCC3)nc1
InChIInChI=1S/C14H16N4OS/c1-15-9-6-7-11(16-8-9)13(19)18-14-17-10-4-2-3-5-12(10)20-14/h6-8,15H,2-5H2,1H3,(H,17,18,19)
InChIKeyWZQXARSZMJSFLA-UHFFFAOYSA-N
XLogP2.71
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.38
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-5-(methylamino)pyridine-2-carboxamide
CID 104640909
5-(ethylamino)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pyridine-2-carboxamide
CID 104640590
5-cyano-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pyridine-2-carboxamide
CID 63717460
5-chloro-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pyrazine-2-carboxamide
CID 107241316
N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pyridine-2-carboxamide
CID 2439718
2-methoxy-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzamide
CID 5107128
N-(4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[d][1,3]thiazol-2-yl)acetamide
CID 930096
N-(1,3-benzothiazol-2-yl)-5-(methylamino)pyridine-2-carboxamide
CID 104639786
4,6-dimethyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pyrimidine-2-carboxamide
CID 146080268
5-methyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)thiophene-2-carboxamide
CID 17191257
5,6-dichloro-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pyridine-3-carboxamide
CID 7948503
4-bromo-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzamide
CID 3715134

Frequently Asked Questions

What is the IUPAC name of 5-(methylamino)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pyridine-2-carboxamide?
The IUPAC name of 5-(methylamino)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pyridine-2-carboxamide (CID 104640589) is 5-(methylamino)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pyridine-2-carboxamide.
What is the SMILES notation for 5-(methylamino)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pyridine-2-carboxamide?
The canonical SMILES for 5-(methylamino)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pyridine-2-carboxamide is CNc1ccc(C(=O)Nc2nc3c(s2)CCCC3)nc1.
What is the InChIKey of 5-(methylamino)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pyridine-2-carboxamide?
The InChIKey is WZQXARSZMJSFLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4OS/c1-15-9-6-7-11(16-8-9)13(19)18-14-17-10-4-2-3-5-12(10)20-14/h6-8,15H,2-5H2,1H3,(H,17,18,19).
What are the key properties of 5-(methylamino)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pyridine-2-carboxamide?
5-(methylamino)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pyridine-2-carboxamide has a molecular weight of 288.38 g/mol, XLogP of 2.71, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(methylamino)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pyridine-2-carboxamide is sourced from PubChem (CID 104640589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).