5-cyano-1,3-thiazole-2-carboxamide

C5H3N3OS — CID 69293559

IUPAC5-cyano-1,3-thiazole-2-carboxamide
SMILESN#Cc1cnc(C(N)=O)s1
InChIInChI=1S/C5H3N3OS/c6-1-3-2-8-5(10-3)4(7)9/h2H,(H2,7,9)
InChIKeyMNTKMRXVIYWFKV-UHFFFAOYSA-N
MW153.17 g/mol
LogP0.11
Rot. Bonds1

About 5-cyano-1,3-thiazole-2-carboxamide

5-cyano-1,3-thiazole-2-carboxamide (PubChem CID 69293559) has the molecular formula C5H3N3OS and a molecular weight of 153.17 g/mol. Its IUPAC name is 5-cyano-1,3-thiazole-2-carboxamide.

Molecular Properties

Compound Name5-cyano-1,3-thiazole-2-carboxamide
PubChem CID69293559
Molecular FormulaC5H3N3OS
Molecular Weight153.17 g/mol
Exact Mass153.00
IUPAC Name5-cyano-1,3-thiazole-2-carboxamide
SMILESN#Cc1cnc(C(N)=O)s1
InChIInChI=1S/C5H3N3OS/c6-1-3-2-8-5(10-3)4(7)9/h2H,(H2,7,9)
InChIKeyMNTKMRXVIYWFKV-UHFFFAOYSA-N
XLogP0.11
TPSA79.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.17
LogP ≤ 50.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-cyano-1,3-thiazole-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

Related Compounds

5-(Difluoromethyl)-1,3-thiazole-2-carboxamide
CID 168885480
2-Acetylthiazole-5-carbonitrile
CID 18458088
2-(5-Methyl-1,3-thiazol-3-ium-3-yl)acetamide
CID 18763784
N,5-dimethyl-1,3-thiazole-2-carboxamide
CID 20706055
5-(Chloromethyl)-1,3-thiazole-2-carboxamide
CID 21698338
5-Methylthiazole-2-carboxamide
CID 22367510
5-Ethynyl-1,3-thiazole-2-carboxamide
CID 45121753
5-Methyl-1,3-thiazole-2-carbohydrazide
CID 45122722
2-(Aminomethyl)thiazole-5-carbonitrile
CID 45480248
N,N,5-trimethyl-1,3-thiazole-2-carboxamide
CID 59693831
5-Ethyl-1,3-thiazole-2-carboxamide
CID 68406390
5-[(Dimethylamino)methyl]-1,3-thiazole-2-carboxamide
CID 69594381

Frequently Asked Questions

What is the IUPAC name of 5-cyano-1,3-thiazole-2-carboxamide?
The IUPAC name of 5-cyano-1,3-thiazole-2-carboxamide (CID 69293559) is 5-cyano-1,3-thiazole-2-carboxamide.
What is the SMILES notation for 5-cyano-1,3-thiazole-2-carboxamide?
The canonical SMILES for 5-cyano-1,3-thiazole-2-carboxamide is N#Cc1cnc(C(N)=O)s1.
What is the InChIKey of 5-cyano-1,3-thiazole-2-carboxamide?
The InChIKey is MNTKMRXVIYWFKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3N3OS/c6-1-3-2-8-5(10-3)4(7)9/h2H,(H2,7,9).
What are the key properties of 5-cyano-1,3-thiazole-2-carboxamide?
5-cyano-1,3-thiazole-2-carboxamide has a molecular weight of 153.17 g/mol, XLogP of 0.11, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyano-1,3-thiazole-2-carboxamide is sourced from PubChem (CID 69293559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).