N-[4-(1-methyl-1,2,4-triazol-3-yl)phenyl]-1,3-thiazole-4-carboxamide

C13H11N5OS — CID 75521087

IUPACN-[4-(1-methyl-1,2,4-triazol-3-yl)phenyl]-1,3-thiazole-4-carboxamide
SMILESCn1cnc(-c2ccc(NC(=O)c3cscn3)cc2)n1
InChIInChI=1S/C13H11N5OS/c1-18-7-14-12(17-18)9-2-4-10(5-3-9)16-13(19)11-6-20-8-15-11/h2-8H,1H3,(H,16,19)
InChIKeyWNNLWUCQVDGZEB-UHFFFAOYSA-N
MW285.33 g/mol
LogP2.19
Rot. Bonds3

About N-[4-(1-methyl-1,2,4-triazol-3-yl)phenyl]-1,3-thiazole-4-carboxamide

N-[4-(1-methyl-1,2,4-triazol-3-yl)phenyl]-1,3-thiazole-4-carboxamide (PubChem CID 75521087) has the molecular formula C13H11N5OS and a molecular weight of 285.33 g/mol. Its IUPAC name is N-[4-(1-methyl-1,2,4-triazol-3-yl)phenyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[4-(1-methyl-1,2,4-triazol-3-yl)phenyl]-1,3-thiazole-4-carboxamide
PubChem CID75521087
Molecular FormulaC13H11N5OS
Molecular Weight285.33 g/mol
Exact Mass285.07
IUPAC NameN-[4-(1-methyl-1,2,4-triazol-3-yl)phenyl]-1,3-thiazole-4-carboxamide
SMILESCn1cnc(-c2ccc(NC(=O)c3cscn3)cc2)n1
InChIInChI=1S/C13H11N5OS/c1-18-7-14-12(17-18)9-2-4-10(5-3-9)16-13(19)11-6-20-8-15-11/h2-8H,1H3,(H,16,19)
InChIKeyWNNLWUCQVDGZEB-UHFFFAOYSA-N
XLogP2.19
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.33
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[4-(1-methyl-1,2,4-triazol-3-yl)phenyl]-1,3-thiazole-4-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-[4-(1-methyl-1,2,4-triazol-3-yl)phenyl]pyrazine-2-carboxamide
CID 75521085
4-acetyl-N-[4-(1-methyl-1,2,4-triazol-3-yl)phenyl]benzamide
CID 75504194
N-[4-(dimethylcarbamoyl)phenyl]-1,3-thiazole-4-carboxamide
CID 55143046
N-phenyl-1,3-thiazole-4-carboxamide
CID 62045972
4-(difluoromethylsulfanyl)-N-[4-(1-methyl-1,2,4-triazol-3-yl)phenyl]benzamide
CID 75477317
N-[4-[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]phenyl]-1,3-thiazole-4-carboxamide
CID 90149485
N-[4-(tert-butylcarbamoyl)phenyl]-1,3-thiazole-4-carboxamide
CID 62046167
N-[4-(azepane-1-carbonyl)phenyl]-4-(1-methyl-1,2,4-triazol-3-yl)benzamide
CID 75475339
N-[4-[5-(4-chlorophenyl)-1H-1,2,4-triazol-3-yl]phenyl]-1,3-thiazole-4-carboxamide
CID 90149414
N-[4-[[2-(dimethylamino)acetyl]amino]phenyl]-1,3-thiazole-4-carboxamide
CID 131938859
4-cyclopropyl-2-methyl-N-[4-(1-methyl-1,2,4-triazol-3-yl)phenyl]pyrimidine-5-carboxamide
CID 154839096
2-methylpropyl 4-(1,3-thiazole-4-carbonylamino)benzoate
CID 110437401

Frequently Asked Questions

What is the IUPAC name of N-[4-(1-methyl-1,2,4-triazol-3-yl)phenyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[4-(1-methyl-1,2,4-triazol-3-yl)phenyl]-1,3-thiazole-4-carboxamide (CID 75521087) is N-[4-(1-methyl-1,2,4-triazol-3-yl)phenyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[4-(1-methyl-1,2,4-triazol-3-yl)phenyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[4-(1-methyl-1,2,4-triazol-3-yl)phenyl]-1,3-thiazole-4-carboxamide is Cn1cnc(-c2ccc(NC(=O)c3cscn3)cc2)n1.
What is the InChIKey of N-[4-(1-methyl-1,2,4-triazol-3-yl)phenyl]-1,3-thiazole-4-carboxamide?
The InChIKey is WNNLWUCQVDGZEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N5OS/c1-18-7-14-12(17-18)9-2-4-10(5-3-9)16-13(19)11-6-20-8-15-11/h2-8H,1H3,(H,16,19).
What are the key properties of N-[4-(1-methyl-1,2,4-triazol-3-yl)phenyl]-1,3-thiazole-4-carboxamide?
N-[4-(1-methyl-1,2,4-triazol-3-yl)phenyl]-1,3-thiazole-4-carboxamide has a molecular weight of 285.33 g/mol, XLogP of 2.19, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1-methyl-1,2,4-triazol-3-yl)phenyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 75521087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).