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

C8H9N5OS — CID 55218411

IUPACN-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1,3-thiazole-4-carboxamide
SMILESCn1cnnc1CNC(=O)c1cscn1
InChIInChI=1S/C8H9N5OS/c1-13-4-11-12-7(13)2-9-8(14)6-3-15-5-10-6/h3-5H,2H2,1H3,(H,9,14)
InChIKeyMTICQSIBIZLARD-UHFFFAOYSA-N
MW223.26 g/mol
LogP0.20
Rot. Bonds3

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

N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1,3-thiazole-4-carboxamide (PubChem CID 55218411) has the molecular formula C8H9N5OS and a molecular weight of 223.26 g/mol. Its IUPAC name is N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1,3-thiazole-4-carboxamide
PubChem CID55218411
Molecular FormulaC8H9N5OS
Molecular Weight223.26 g/mol
Exact Mass223.05
IUPAC NameN-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1,3-thiazole-4-carboxamide
SMILESCn1cnnc1CNC(=O)c1cscn1
InChIInChI=1S/C8H9N5OS/c1-13-4-11-12-7(13)2-9-8(14)6-3-15-5-10-6/h3-5H,2H2,1H3,(H,9,14)
InChIKeyMTICQSIBIZLARD-UHFFFAOYSA-N
XLogP0.20
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.26
LogP ≤ 50.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-[(4-methyl-1,2,4-triazol-3-yl)methylcarbamoyl]pyridine-3-carboxylic acid
CID 60754840
4-(ethylamino)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyridine-2-carboxamide
CID 62179357
2-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1,3-thiazole-5-carboxamide
CID 146124157
N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-4-sulfanylthiophene-2-carboxamide
CID 107027924
6-(ethylamino)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyridazine-3-carboxamide
CID 62180418
6-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-4-oxo-1H-pyridine-3-carboxamide
CID 103717543
4-bromo-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]benzamide
CID 47158502
6-hydrazinyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyridine-2-carboxamide
CID 62237331
N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-3-oxobutanamide
CID 61004110
2-amino-5-hydroxy-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]benzamide
CID 107074730
3-(4-hydroxybut-1-ynyl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyridine-2-carboxamide
CID 107522205
N-[(4-tert-butylphenyl)methyl]-1,3-thiazole-4-carboxamide
CID 110471823

Frequently Asked Questions

What is the IUPAC name of N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1,3-thiazole-4-carboxamide (CID 55218411) is N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1,3-thiazole-4-carboxamide is Cn1cnnc1CNC(=O)c1cscn1.
What is the InChIKey of N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1,3-thiazole-4-carboxamide?
The InChIKey is MTICQSIBIZLARD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N5OS/c1-13-4-11-12-7(13)2-9-8(14)6-3-15-5-10-6/h3-5H,2H2,1H3,(H,9,14).
What are the key properties of N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1,3-thiazole-4-carboxamide?
N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1,3-thiazole-4-carboxamide has a molecular weight of 223.26 g/mol, XLogP of 0.20, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 55218411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).