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

C8H8N4OS — CID 4318610

IUPAC3-methyl-N-(1H-1,2,4-triazol-5-yl)thiophene-2-carboxamide
SMILESCc1ccsc1C(=O)Nc1ncn[nH]1
InChIInChI=1S/C8H8N4OS/c1-5-2-3-14-6(5)7(13)11-8-9-4-10-12-8/h2-4H,1H3,(H2,9,10,11,12,13)
InChIKeyDNAGWGRTNCTMPE-UHFFFAOYSA-N
MW208.25 g/mol
LogP1.43
Rot. Bonds2

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

3-methyl-N-(1H-1,2,4-triazol-5-yl)thiophene-2-carboxamide (PubChem CID 4318610) has the molecular formula C8H8N4OS and a molecular weight of 208.25 g/mol. Its IUPAC name is 3-methyl-N-(1H-1,2,4-triazol-5-yl)thiophene-2-carboxamide.

Molecular Properties

Compound Name3-methyl-N-(1H-1,2,4-triazol-5-yl)thiophene-2-carboxamide
PubChem CID4318610
Molecular FormulaC8H8N4OS
Molecular Weight208.25 g/mol
Exact Mass208.04
IUPAC Name3-methyl-N-(1H-1,2,4-triazol-5-yl)thiophene-2-carboxamide
SMILESCc1ccsc1C(=O)Nc1ncn[nH]1
InChIInChI=1S/C8H8N4OS/c1-5-2-3-14-6(5)7(13)11-8-9-4-10-12-8/h2-4H,1H3,(H2,9,10,11,12,13)
InChIKeyDNAGWGRTNCTMPE-UHFFFAOYSA-N
XLogP1.43
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.25
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-N-(5-methyl-1H-pyrazol-3-yl)thiophene-2-carboxamide
CID 47148561
3-methyl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]thiophene-2-carboxamide
CID 64518007
3-methyl-N-pyridin-4-ylthiophene-2-carboxamide
CID 30388319
2-(2,4-dimethylphenyl)-4-methyl-N-(1H-1,2,4-triazol-5-yl)-1,3-thiazole-5-carboxamide
CID 51098584
4-(dimethylamino)-N-(1H-1,2,4-triazol-5-yl)benzamide
CID 30866056
N-(1H-1,2,4-triazol-5-yl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide
CID 84554018
N-(1H-indazol-5-yl)-3-methylthiophene-2-carboxamide
CID 112527198
N-(4-hydroxyphenyl)-3-methylthiophene-2-carboxamide
CID 28739515
3-methyl-N-(2-methylphenyl)thiophene-2-carboxamide
CID 8714089
N-(5-chloropyrazin-2-yl)-3-methylthiophene-2-carboxamide
CID 104964205
N-(4-chlorophenyl)-3-methylthiophene-2-carboxamide
CID 26087540
N-(4-iodophenyl)-3-methylthiophene-2-carboxamide
CID 7927248

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(1H-1,2,4-triazol-5-yl)thiophene-2-carboxamide?
The IUPAC name of 3-methyl-N-(1H-1,2,4-triazol-5-yl)thiophene-2-carboxamide (CID 4318610) is 3-methyl-N-(1H-1,2,4-triazol-5-yl)thiophene-2-carboxamide.
What is the SMILES notation for 3-methyl-N-(1H-1,2,4-triazol-5-yl)thiophene-2-carboxamide?
The canonical SMILES for 3-methyl-N-(1H-1,2,4-triazol-5-yl)thiophene-2-carboxamide is Cc1ccsc1C(=O)Nc1ncn[nH]1.
What is the InChIKey of 3-methyl-N-(1H-1,2,4-triazol-5-yl)thiophene-2-carboxamide?
The InChIKey is DNAGWGRTNCTMPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N4OS/c1-5-2-3-14-6(5)7(13)11-8-9-4-10-12-8/h2-4H,1H3,(H2,9,10,11,12,13).
What are the key properties of 3-methyl-N-(1H-1,2,4-triazol-5-yl)thiophene-2-carboxamide?
3-methyl-N-(1H-1,2,4-triazol-5-yl)thiophene-2-carboxamide has a molecular weight of 208.25 g/mol, XLogP of 1.43, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(1H-1,2,4-triazol-5-yl)thiophene-2-carboxamide is sourced from PubChem (CID 4318610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).