N-(3-methoxy-1H-1,2,4-triazol-5-yl)-2-methyl-1,3-thiazole-5-carboxamide

C8H9N5O2S — CID 103947311

IUPACN-(3-methoxy-1H-1,2,4-triazol-5-yl)-2-methyl-1,3-thiazole-5-carboxamide
SMILESCOc1n[nH]c(NC(=O)c2cnc(C)s2)n1
InChIInChI=1S/C8H9N5O2S/c1-4-9-3-5(16-4)6(14)10-7-11-8(15-2)13-12-7/h3H,1-2H3,(H2,10,11,12,13,14)
InChIKeyUOAUNRVWJALQDD-UHFFFAOYSA-N
MW239.26 g/mol
LogP0.83
Rot. Bonds3

About N-(3-methoxy-1H-1,2,4-triazol-5-yl)-2-methyl-1,3-thiazole-5-carboxamide

N-(3-methoxy-1H-1,2,4-triazol-5-yl)-2-methyl-1,3-thiazole-5-carboxamide (PubChem CID 103947311) has the molecular formula C8H9N5O2S and a molecular weight of 239.26 g/mol. Its IUPAC name is N-(3-methoxy-1H-1,2,4-triazol-5-yl)-2-methyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-(3-methoxy-1H-1,2,4-triazol-5-yl)-2-methyl-1,3-thiazole-5-carboxamide
PubChem CID103947311
Molecular FormulaC8H9N5O2S
Molecular Weight239.26 g/mol
Exact Mass239.05
IUPAC NameN-(3-methoxy-1H-1,2,4-triazol-5-yl)-2-methyl-1,3-thiazole-5-carboxamide
SMILESCOc1n[nH]c(NC(=O)c2cnc(C)s2)n1
InChIInChI=1S/C8H9N5O2S/c1-4-9-3-5(16-4)6(14)10-7-11-8(15-2)13-12-7/h3H,1-2H3,(H2,10,11,12,13,14)
InChIKeyUOAUNRVWJALQDD-UHFFFAOYSA-N
XLogP0.83
TPSA92.79 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.26
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-(3-methoxy-1H-1,2,4-triazol-5-yl)-2-methyl-1,3-thiazole-5-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

N-(3-methoxy-1H-1,2,4-triazol-5-yl)-5-methyl-1H-pyrazole-4-carboxamide
CID 83101088
5-ethyl-N-(3-methoxy-1H-1,2,4-triazol-5-yl)-4-methylthiophene-2-carboxamide
CID 83092755
N-(3-methoxy-1H-1,2,4-triazol-5-yl)thiophene-3-carboxamide
CID 83092476
N-(3-methoxy-1H-1,2,4-triazol-5-yl)-4-methylthiadiazole-5-carboxamide
CID 83101329
N-(3-methoxy-1H-1,2,4-triazol-5-yl)quinoxaline-2-carboxamide
CID 83102478
4-bromo-N-(3-methoxy-1H-1,2,4-triazol-5-yl)benzamide
CID 83093226
2-hydroxy-N-(3-methoxy-1H-1,2,4-triazol-5-yl)benzamide
CID 83086537
N-(3-methoxy-1H-1,2,4-triazol-5-yl)-2,5-dimethylfuran-3-carboxamide
CID 83093523
N-(3-methoxy-1H-1,2,4-triazol-5-yl)-2,4-dimethylbenzamide
CID 83092656
N-(3-ethoxy-1H-1,2,4-triazol-5-yl)-4,5-dimethylthiophene-2-carboxamide
CID 113456543
N-(3-methoxy-1H-1,2,4-triazol-5-yl)-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 83093125
3-hydroxy-N-(3-methoxy-1H-1,2,4-triazol-5-yl)pyridine-4-carboxamide
CID 83101038

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxy-1H-1,2,4-triazol-5-yl)-2-methyl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-(3-methoxy-1H-1,2,4-triazol-5-yl)-2-methyl-1,3-thiazole-5-carboxamide (CID 103947311) is N-(3-methoxy-1H-1,2,4-triazol-5-yl)-2-methyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-(3-methoxy-1H-1,2,4-triazol-5-yl)-2-methyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-(3-methoxy-1H-1,2,4-triazol-5-yl)-2-methyl-1,3-thiazole-5-carboxamide is COc1n[nH]c(NC(=O)c2cnc(C)s2)n1.
What is the InChIKey of N-(3-methoxy-1H-1,2,4-triazol-5-yl)-2-methyl-1,3-thiazole-5-carboxamide?
The InChIKey is UOAUNRVWJALQDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N5O2S/c1-4-9-3-5(16-4)6(14)10-7-11-8(15-2)13-12-7/h3H,1-2H3,(H2,10,11,12,13,14).
What are the key properties of N-(3-methoxy-1H-1,2,4-triazol-5-yl)-2-methyl-1,3-thiazole-5-carboxamide?
N-(3-methoxy-1H-1,2,4-triazol-5-yl)-2-methyl-1,3-thiazole-5-carboxamide has a molecular weight of 239.26 g/mol, XLogP of 0.83, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxy-1H-1,2,4-triazol-5-yl)-2-methyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 103947311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).