5-cyano-N-[5-(4-hydroxybut-1-ynyl)-1,3-thiazol-2-yl]pyridine-2-carboxamide

C14H10N4O2S — CID 63724606

IUPAC5-cyano-N-[5-(4-hydroxybut-1-ynyl)-1,3-thiazol-2-yl]pyridine-2-carboxamide
SMILESN#Cc1ccc(C(=O)Nc2ncc(C#CCCO)s2)nc1
InChIInChI=1S/C14H10N4O2S/c15-7-10-4-5-12(16-8-10)13(20)18-14-17-9-11(21-14)3-1-2-6-19/h4-5,8-9,19H,2,6H2,(H,17,18,20)
InChIKeyOXQAUKJPMDUYSA-UHFFFAOYSA-N
MW298.33 g/mol
LogP1.40
Rot. Bonds3

About 5-cyano-N-[5-(4-hydroxybut-1-ynyl)-1,3-thiazol-2-yl]pyridine-2-carboxamide

5-cyano-N-[5-(4-hydroxybut-1-ynyl)-1,3-thiazol-2-yl]pyridine-2-carboxamide (PubChem CID 63724606) has the molecular formula C14H10N4O2S and a molecular weight of 298.33 g/mol. Its IUPAC name is 5-cyano-N-[5-(4-hydroxybut-1-ynyl)-1,3-thiazol-2-yl]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-cyano-N-[5-(4-hydroxybut-1-ynyl)-1,3-thiazol-2-yl]pyridine-2-carboxamide
PubChem CID63724606
Molecular FormulaC14H10N4O2S
Molecular Weight298.33 g/mol
Exact Mass298.05
IUPAC Name5-cyano-N-[5-(4-hydroxybut-1-ynyl)-1,3-thiazol-2-yl]pyridine-2-carboxamide
SMILESN#Cc1ccc(C(=O)Nc2ncc(C#CCCO)s2)nc1
InChIInChI=1S/C14H10N4O2S/c15-7-10-4-5-12(16-8-10)13(20)18-14-17-9-11(21-14)3-1-2-6-19/h4-5,8-9,19H,2,6H2,(H,17,18,20)
InChIKeyOXQAUKJPMDUYSA-UHFFFAOYSA-N
XLogP1.40
TPSA98.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.33
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 5-cyano-N-[5-(4-hydroxybut-1-ynyl)-1,3-thiazol-2-yl]pyridine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-cyano-N-[5-(4-hydroxybut-1-ynyl)-1,3-thiazol-2-yl]pyridine-2-carboxamide?
The IUPAC name of 5-cyano-N-[5-(4-hydroxybut-1-ynyl)-1,3-thiazol-2-yl]pyridine-2-carboxamide (CID 63724606) is 5-cyano-N-[5-(4-hydroxybut-1-ynyl)-1,3-thiazol-2-yl]pyridine-2-carboxamide.
What is the SMILES notation for 5-cyano-N-[5-(4-hydroxybut-1-ynyl)-1,3-thiazol-2-yl]pyridine-2-carboxamide?
The canonical SMILES for 5-cyano-N-[5-(4-hydroxybut-1-ynyl)-1,3-thiazol-2-yl]pyridine-2-carboxamide is N#Cc1ccc(C(=O)Nc2ncc(C#CCCO)s2)nc1.
What is the InChIKey of 5-cyano-N-[5-(4-hydroxybut-1-ynyl)-1,3-thiazol-2-yl]pyridine-2-carboxamide?
The InChIKey is OXQAUKJPMDUYSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N4O2S/c15-7-10-4-5-12(16-8-10)13(20)18-14-17-9-11(21-14)3-1-2-6-19/h4-5,8-9,19H,2,6H2,(H,17,18,20).
What are the key properties of 5-cyano-N-[5-(4-hydroxybut-1-ynyl)-1,3-thiazol-2-yl]pyridine-2-carboxamide?
5-cyano-N-[5-(4-hydroxybut-1-ynyl)-1,3-thiazol-2-yl]pyridine-2-carboxamide has a molecular weight of 298.33 g/mol, XLogP of 1.40, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyano-N-[5-(4-hydroxybut-1-ynyl)-1,3-thiazol-2-yl]pyridine-2-carboxamide is sourced from PubChem (CID 63724606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).