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

C8H8N4OS — CID 1244080

IUPAC5-methyl-N-(1,2,4-triazol-4-yl)thiophene-3-carboxamide
SMILESCc1cc(C(=O)Nn2cnnc2)cs1
InChIInChI=1S/C8H8N4OS/c1-6-2-7(3-14-6)8(13)11-12-4-9-10-5-12/h2-5H,1H3,(H,11,13)
InChIKeyOOPIHYFSVDTQGP-UHFFFAOYSA-N
MW208.25 g/mol
LogP1.03
Rot. Bonds2

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

5-methyl-N-(1,2,4-triazol-4-yl)thiophene-3-carboxamide (PubChem CID 1244080) has the molecular formula C8H8N4OS and a molecular weight of 208.25 g/mol. Its IUPAC name is 5-methyl-N-(1,2,4-triazol-4-yl)thiophene-3-carboxamide.

Molecular Properties

Compound Name5-methyl-N-(1,2,4-triazol-4-yl)thiophene-3-carboxamide
PubChem CID1244080
Molecular FormulaC8H8N4OS
Molecular Weight208.25 g/mol
Exact Mass208.04
IUPAC Name5-methyl-N-(1,2,4-triazol-4-yl)thiophene-3-carboxamide
SMILESCc1cc(C(=O)Nn2cnnc2)cs1
InChIInChI=1S/C8H8N4OS/c1-6-2-7(3-14-6)8(13)11-12-4-9-10-5-12/h2-5H,1H3,(H,11,13)
InChIKeyOOPIHYFSVDTQGP-UHFFFAOYSA-N
XLogP1.03
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.25
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-bromo-N-(1,2,4-triazol-4-yl)thiophene-2-carboxamide
CID 845132
N-(1,2,4-triazol-4-yl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxamide
CID 1245136
N-4H-1,2,4-triazol-4-yl-1-benzothiophene-3-carboxamide
CID 1246153
N-(4H-1,2,4-Triazol-4-yl)-4,5,6,7-tetrahydrobenzo[b]thiophene-2-carboxamide
CID 1247433
5-methyl-4-phenyl-N-4H-1,2,4-triazol-4-yl-3-thiophenecarboxamide
CID 1246306
N-(4H-1,2,4-triazol-4-yl)thiophene-2-carboxamide
CID 573754
N-4H-1,2,4-triazol-4-yl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 2970229
5-methyl-N-[3-(trifluoromethyl)-1,2,4-triazol-1-yl]thiophene-3-carboxamide
CID 57158886
N-(1H-1,2,4-triazol-3-yl)-2-thienylcarboxamide
CID 5026985
3-(4-((1H-1,2,4-Triazol-1-yl)methyl)thiophen-2-yl)-2-cyanoacrylamide
CID 78341178
(2E)-2-cyano-3-(thiophen-2-yl)-N-(4H-1,2,4-triazol-4-yl)prop-2-enamide
CID 766176
4-bromo-5-ethyl-N-(1,2,4-triazol-4-yl)thiophene-2-carboxamide
CID 1246281

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-(1,2,4-triazol-4-yl)thiophene-3-carboxamide?
The IUPAC name of 5-methyl-N-(1,2,4-triazol-4-yl)thiophene-3-carboxamide (CID 1244080) is 5-methyl-N-(1,2,4-triazol-4-yl)thiophene-3-carboxamide.
What is the SMILES notation for 5-methyl-N-(1,2,4-triazol-4-yl)thiophene-3-carboxamide?
The canonical SMILES for 5-methyl-N-(1,2,4-triazol-4-yl)thiophene-3-carboxamide is Cc1cc(C(=O)Nn2cnnc2)cs1.
What is the InChIKey of 5-methyl-N-(1,2,4-triazol-4-yl)thiophene-3-carboxamide?
The InChIKey is OOPIHYFSVDTQGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N4OS/c1-6-2-7(3-14-6)8(13)11-12-4-9-10-5-12/h2-5H,1H3,(H,11,13).
What are the key properties of 5-methyl-N-(1,2,4-triazol-4-yl)thiophene-3-carboxamide?
5-methyl-N-(1,2,4-triazol-4-yl)thiophene-3-carboxamide has a molecular weight of 208.25 g/mol, XLogP of 1.03, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-(1,2,4-triazol-4-yl)thiophene-3-carboxamide is sourced from PubChem (CID 1244080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).