5-(3-aminoprop-1-ynyl)-N-(4,5-dimethyl-1,3-thiazol-2-yl)pyridine-2-carboxamide

C14H14N4OS — CID 62954011

IUPAC5-(3-aminoprop-1-ynyl)-N-(4,5-dimethyl-1,3-thiazol-2-yl)pyridine-2-carboxamide
SMILESCc1nc(NC(=O)c2ccc(C#CCN)cn2)sc1C
InChIInChI=1S/C14H14N4OS/c1-9-10(2)20-14(17-9)18-13(19)12-6-5-11(8-16-12)4-3-7-15/h5-6,8H,7,15H2,1-2H3,(H,17,18,19)
InChIKeyJSLWXTHQRBFBBR-UHFFFAOYSA-N
MW286.36 g/mol
LogP1.72
Rot. Bonds2

About 5-(3-aminoprop-1-ynyl)-N-(4,5-dimethyl-1,3-thiazol-2-yl)pyridine-2-carboxamide

5-(3-aminoprop-1-ynyl)-N-(4,5-dimethyl-1,3-thiazol-2-yl)pyridine-2-carboxamide (PubChem CID 62954011) has the molecular formula C14H14N4OS and a molecular weight of 286.36 g/mol. Its IUPAC name is 5-(3-aminoprop-1-ynyl)-N-(4,5-dimethyl-1,3-thiazol-2-yl)pyridine-2-carboxamide.

Molecular Properties

Compound Name5-(3-aminoprop-1-ynyl)-N-(4,5-dimethyl-1,3-thiazol-2-yl)pyridine-2-carboxamide
PubChem CID62954011
Molecular FormulaC14H14N4OS
Molecular Weight286.36 g/mol
Exact Mass286.09
IUPAC Name5-(3-aminoprop-1-ynyl)-N-(4,5-dimethyl-1,3-thiazol-2-yl)pyridine-2-carboxamide
SMILESCc1nc(NC(=O)c2ccc(C#CCN)cn2)sc1C
InChIInChI=1S/C14H14N4OS/c1-9-10(2)20-14(17-9)18-13(19)12-6-5-11(8-16-12)4-3-7-15/h5-6,8H,7,15H2,1-2H3,(H,17,18,19)
InChIKeyJSLWXTHQRBFBBR-UHFFFAOYSA-N
XLogP1.72
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.36
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-5-(3-hydroxyprop-1-ynyl)pyridine-2-carboxamide
CID 62960072
5-(3-aminoprop-1-ynyl)-N-(6-methyl-2-pyridinyl)pyridine-2-carboxamide
CID 62958879
5-(3-aminoprop-1-ynyl)-N-(3,5-dimethylphenyl)pyridine-2-carboxamide
CID 62958354
5-bromo-N-(4,5-dimethyl-1,3-thiazol-2-yl)pyridine-2-carboxamide
CID 55153633
5-(3-aminoprop-1-ynyl)-N-ethylpyridine-2-carboxamide
CID 62958179
5-(3-aminoprop-1-ynyl)-N-(2-methyl-4-pyridinyl)pyridine-2-carboxamide
CID 79241057
5-(3-aminoprop-1-ynyl)-N-phenylpyridine-2-carboxamide
CID 62960476
5-(3-aminoprop-1-ynyl)-N-(4-fluoro-3-methylphenyl)pyridine-2-carboxamide
CID 62952492
5-(3-aminoprop-1-ynyl)-N-(5-fluoro-2-methylphenyl)pyridine-2-carboxamide
CID 62960498
5-(3-aminoprop-1-ynyl)-N-(2-methoxyphenyl)pyridine-2-carboxamide
CID 62959215
5-(3-aminoprop-1-ynyl)-N-cyclopentylpyridine-2-carboxamide
CID 62960645
5-(3-aminoprop-1-ynyl)-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyridine-2-carboxamide
CID 106422382

Frequently Asked Questions

What is the IUPAC name of 5-(3-aminoprop-1-ynyl)-N-(4,5-dimethyl-1,3-thiazol-2-yl)pyridine-2-carboxamide?
The IUPAC name of 5-(3-aminoprop-1-ynyl)-N-(4,5-dimethyl-1,3-thiazol-2-yl)pyridine-2-carboxamide (CID 62954011) is 5-(3-aminoprop-1-ynyl)-N-(4,5-dimethyl-1,3-thiazol-2-yl)pyridine-2-carboxamide.
What is the SMILES notation for 5-(3-aminoprop-1-ynyl)-N-(4,5-dimethyl-1,3-thiazol-2-yl)pyridine-2-carboxamide?
The canonical SMILES for 5-(3-aminoprop-1-ynyl)-N-(4,5-dimethyl-1,3-thiazol-2-yl)pyridine-2-carboxamide is Cc1nc(NC(=O)c2ccc(C#CCN)cn2)sc1C.
What is the InChIKey of 5-(3-aminoprop-1-ynyl)-N-(4,5-dimethyl-1,3-thiazol-2-yl)pyridine-2-carboxamide?
The InChIKey is JSLWXTHQRBFBBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4OS/c1-9-10(2)20-14(17-9)18-13(19)12-6-5-11(8-16-12)4-3-7-15/h5-6,8H,7,15H2,1-2H3,(H,17,18,19).
What are the key properties of 5-(3-aminoprop-1-ynyl)-N-(4,5-dimethyl-1,3-thiazol-2-yl)pyridine-2-carboxamide?
5-(3-aminoprop-1-ynyl)-N-(4,5-dimethyl-1,3-thiazol-2-yl)pyridine-2-carboxamide has a molecular weight of 286.36 g/mol, XLogP of 1.72, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-aminoprop-1-ynyl)-N-(4,5-dimethyl-1,3-thiazol-2-yl)pyridine-2-carboxamide is sourced from PubChem (CID 62954011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).