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

C8H12N4OS — CID 80709247

IUPACN-(5-methyl-1H-1,2,4-triazol-3-yl)thiolane-3-carboxamide
SMILESCc1nc(NC(=O)C2CCSC2)n[nH]1
InChIInChI=1S/C8H12N4OS/c1-5-9-8(12-11-5)10-7(13)6-2-3-14-4-6/h6H,2-4H2,1H3,(H2,9,10,11,12,13)
InChIKeyMJGQYKFPQQAICU-UHFFFAOYSA-N
MW212.28 g/mol
LogP0.80
Rot. Bonds2

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

N-(5-methyl-1H-1,2,4-triazol-3-yl)thiolane-3-carboxamide (PubChem CID 80709247) has the molecular formula C8H12N4OS and a molecular weight of 212.28 g/mol. Its IUPAC name is N-(5-methyl-1H-1,2,4-triazol-3-yl)thiolane-3-carboxamide.

Molecular Properties

Compound NameN-(5-methyl-1H-1,2,4-triazol-3-yl)thiolane-3-carboxamide
PubChem CID80709247
Molecular FormulaC8H12N4OS
Molecular Weight212.28 g/mol
Exact Mass212.07
IUPAC NameN-(5-methyl-1H-1,2,4-triazol-3-yl)thiolane-3-carboxamide
SMILESCc1nc(NC(=O)C2CCSC2)n[nH]1
InChIInChI=1S/C8H12N4OS/c1-5-9-8(12-11-5)10-7(13)6-2-3-14-4-6/h6H,2-4H2,1H3,(H2,9,10,11,12,13)
InChIKeyMJGQYKFPQQAICU-UHFFFAOYSA-N
XLogP0.80
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 ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-methyl-1H-1,2,4-triazol-3-yl)cyclopentanecarboxamide
CID 78928145
1-acetyl-N-(5-methyl-1H-1,2,4-triazol-3-yl)piperidine-4-carboxamide
CID 78927453
3-N-(5-methyl-1H-1,2,4-triazol-3-yl)piperidine-1,3-dicarboxamide
CID 78927822
1-(cyclopropanecarbonyl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)piperidine-3-carboxamide
CID 78928337
N-(5-methyl-1H-1,2,4-triazol-3-yl)-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 86207135
2-methyl-N-(5-methyl-1H-1,2,4-triazol-3-yl)oxane-3-carboxamide
CID 154735472
N-(4-bromo-3,5-dimethylphenyl)thiolane-3-carboxamide
CID 103582040
4-methyl-3-(thiolane-3-carbonylamino)thiophene-2-carboxylic acid
CID 114914741
N-(2-methyl-6-propan-2-ylphenyl)thiolane-3-carboxamide
CID 110858311
N-(3-hydroxy-2-methylphenyl)thiolane-3-carboxamide
CID 64795102
2,3-dimethyl-N-(5-methyl-1H-1,2,4-triazol-3-yl)butanamide
CID 78958095
ethyl 2-[(5-methyl-1H-1,2,4-triazol-3-yl)amino]-2-oxoacetate
CID 110471089

Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-1H-1,2,4-triazol-3-yl)thiolane-3-carboxamide?
The IUPAC name of N-(5-methyl-1H-1,2,4-triazol-3-yl)thiolane-3-carboxamide (CID 80709247) is N-(5-methyl-1H-1,2,4-triazol-3-yl)thiolane-3-carboxamide.
What is the SMILES notation for N-(5-methyl-1H-1,2,4-triazol-3-yl)thiolane-3-carboxamide?
The canonical SMILES for N-(5-methyl-1H-1,2,4-triazol-3-yl)thiolane-3-carboxamide is Cc1nc(NC(=O)C2CCSC2)n[nH]1.
What is the InChIKey of N-(5-methyl-1H-1,2,4-triazol-3-yl)thiolane-3-carboxamide?
The InChIKey is MJGQYKFPQQAICU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4OS/c1-5-9-8(12-11-5)10-7(13)6-2-3-14-4-6/h6H,2-4H2,1H3,(H2,9,10,11,12,13).
What are the key properties of N-(5-methyl-1H-1,2,4-triazol-3-yl)thiolane-3-carboxamide?
N-(5-methyl-1H-1,2,4-triazol-3-yl)thiolane-3-carboxamide has a molecular weight of 212.28 g/mol, XLogP of 0.80, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-1H-1,2,4-triazol-3-yl)thiolane-3-carboxamide is sourced from PubChem (CID 80709247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).