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

C8H13N5OS — CID 61004222

IUPACN-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1,3-thiazolidine-4-carboxamide
SMILESCn1cnnc1CNC(=O)C1CSCN1
InChIInChI=1S/C8H13N5OS/c1-13-4-11-12-7(13)2-9-8(14)6-3-15-5-10-6/h4,6,10H,2-3,5H2,1H3,(H,9,14)
InChIKeyNYXKKMVFTMNXPJ-UHFFFAOYSA-N
MW227.29 g/mol
LogP-0.91
Rot. Bonds3

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

N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1,3-thiazolidine-4-carboxamide (PubChem CID 61004222) has the molecular formula C8H13N5OS and a molecular weight of 227.29 g/mol. Its IUPAC name is N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound NameN-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1,3-thiazolidine-4-carboxamide
PubChem CID61004222
Molecular FormulaC8H13N5OS
Molecular Weight227.29 g/mol
Exact Mass227.08
IUPAC NameN-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1,3-thiazolidine-4-carboxamide
SMILESCn1cnnc1CNC(=O)C1CSCN1
InChIInChI=1S/C8H13N5OS/c1-13-4-11-12-7(13)2-9-8(14)6-3-15-5-10-6/h4,6,10H,2-3,5H2,1H3,(H,9,14)
InChIKeyNYXKKMVFTMNXPJ-UHFFFAOYSA-N
XLogP-0.91
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.29
LogP ≤ 5-0.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1,3-thiazolidine-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-ethyl-1,2,4-triazol-3-yl)methyl]-1,3-thiazolidine-4-carboxamide
CID 103813840
(2S)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyrrolidine-2-carboxamide
CID 61164033
N-[(4-phenyl-1,2,4-triazol-3-yl)methyl]-1,3-thiazolidine-4-carboxamide
CID 119291914
(2R)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidine-2-carboxamide
CID 93429180
2-amino-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]cyclopropane-1-carboxamide
CID 82237375
N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 78983059
N-[(6-methylpyridazin-3-yl)methyl]-1,3-thiazolidine-4-carboxamide
CID 110746243
N-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethyl)-1,3-thiazolidine-4-carboxamide;dihydrochloride
CID 119833853
N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
CID 54896049
2-(azetidin-3-yl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]propanamide
CID 116676800
N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-1,3-thiazolidine-4-carboxamide
CID 119891916
N-benzyl-1,3-thiazolidine-4-carboxamide
CID 24693076

Frequently Asked Questions

What is the IUPAC name of N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1,3-thiazolidine-4-carboxamide?
The IUPAC name of N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1,3-thiazolidine-4-carboxamide (CID 61004222) is N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1,3-thiazolidine-4-carboxamide is Cn1cnnc1CNC(=O)C1CSCN1.
What is the InChIKey of N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1,3-thiazolidine-4-carboxamide?
The InChIKey is NYXKKMVFTMNXPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N5OS/c1-13-4-11-12-7(13)2-9-8(14)6-3-15-5-10-6/h4,6,10H,2-3,5H2,1H3,(H,9,14).
What are the key properties of N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1,3-thiazolidine-4-carboxamide?
N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1,3-thiazolidine-4-carboxamide has a molecular weight of 227.29 g/mol, XLogP of -0.91, 3 rotatable bonds, 2 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-thiazolidine-4-carboxamide is sourced from PubChem (CID 61004222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).