2-methyl-N-(1H-1,2,4-triazol-5-yl)thiolane-2-carboxamide

C8H12N4OS — CID 81450532

IUPAC2-methyl-N-(1H-1,2,4-triazol-5-yl)thiolane-2-carboxamide
SMILESCC1(C(=O)Nc2ncn[nH]2)CCCS1
InChIInChI=1S/C8H12N4OS/c1-8(3-2-4-14-8)6(13)11-7-9-5-10-12-7/h5H,2-4H2,1H3,(H2,9,10,11,12,13)
InChIKeyBTNLGRMINSPSIZ-UHFFFAOYSA-N
MW212.28 g/mol
LogP1.03
Rot. Bonds2

About 2-methyl-N-(1H-1,2,4-triazol-5-yl)thiolane-2-carboxamide

2-methyl-N-(1H-1,2,4-triazol-5-yl)thiolane-2-carboxamide (PubChem CID 81450532) has the molecular formula C8H12N4OS and a molecular weight of 212.28 g/mol. Its IUPAC name is 2-methyl-N-(1H-1,2,4-triazol-5-yl)thiolane-2-carboxamide.

Molecular Properties

Compound Name2-methyl-N-(1H-1,2,4-triazol-5-yl)thiolane-2-carboxamide
PubChem CID81450532
Molecular FormulaC8H12N4OS
Molecular Weight212.28 g/mol
Exact Mass212.07
IUPAC Name2-methyl-N-(1H-1,2,4-triazol-5-yl)thiolane-2-carboxamide
SMILESCC1(C(=O)Nc2ncn[nH]2)CCCS1
InChIInChI=1S/C8H12N4OS/c1-8(3-2-4-14-8)6(13)11-7-9-5-10-12-7/h5H,2-4H2,1H3,(H2,9,10,11,12,13)
InChIKeyBTNLGRMINSPSIZ-UHFFFAOYSA-N
XLogP1.03
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.28
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-methyl-N-(1H-1,2,4-triazol-5-yl)thiolane-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

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(1H-1,2,4-triazol-5-yl)thiolane-2-carboxamide?
The IUPAC name of 2-methyl-N-(1H-1,2,4-triazol-5-yl)thiolane-2-carboxamide (CID 81450532) is 2-methyl-N-(1H-1,2,4-triazol-5-yl)thiolane-2-carboxamide.
What is the SMILES notation for 2-methyl-N-(1H-1,2,4-triazol-5-yl)thiolane-2-carboxamide?
The canonical SMILES for 2-methyl-N-(1H-1,2,4-triazol-5-yl)thiolane-2-carboxamide is CC1(C(=O)Nc2ncn[nH]2)CCCS1.
What is the InChIKey of 2-methyl-N-(1H-1,2,4-triazol-5-yl)thiolane-2-carboxamide?
The InChIKey is BTNLGRMINSPSIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4OS/c1-8(3-2-4-14-8)6(13)11-7-9-5-10-12-7/h5H,2-4H2,1H3,(H2,9,10,11,12,13).
What are the key properties of 2-methyl-N-(1H-1,2,4-triazol-5-yl)thiolane-2-carboxamide?
2-methyl-N-(1H-1,2,4-triazol-5-yl)thiolane-2-carboxamide has a molecular weight of 212.28 g/mol, XLogP of 1.03, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(1H-1,2,4-triazol-5-yl)thiolane-2-carboxamide is sourced from PubChem (CID 81450532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).