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

C7H6N4OS — CID 5026985

IUPACN-(1H-1,2,4-triazol-5-yl)thiophene-2-carboxamide
SMILESO=C(Nc1ncn[nH]1)c1cccs1
InChIInChI=1S/C7H6N4OS/c12-6(5-2-1-3-13-5)10-7-8-4-9-11-7/h1-4H,(H2,8,9,10,11,12)
InChIKeyZHVKNLKSDTUQPN-UHFFFAOYSA-N
MW194.22 g/mol
LogP1.12
Rot. Bonds2

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

N-(1H-1,2,4-triazol-5-yl)thiophene-2-carboxamide (PubChem CID 5026985) has the molecular formula C7H6N4OS and a molecular weight of 194.22 g/mol. Its IUPAC name is N-(1H-1,2,4-triazol-5-yl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(1H-1,2,4-triazol-5-yl)thiophene-2-carboxamide
PubChem CID5026985
Molecular FormulaC7H6N4OS
Molecular Weight194.22 g/mol
Exact Mass194.03
IUPAC NameN-(1H-1,2,4-triazol-5-yl)thiophene-2-carboxamide
SMILESO=C(Nc1ncn[nH]1)c1cccs1
InChIInChI=1S/C7H6N4OS/c12-6(5-2-1-3-13-5)10-7-8-4-9-11-7/h1-4H,(H2,8,9,10,11,12)
InChIKeyZHVKNLKSDTUQPN-UHFFFAOYSA-N
XLogP1.12
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.22
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-propyltetrazol-5-yl)thiophene-2-carboxamide
CID 851480
(3-Amino-[1,2,4]triazol-4-yl)-thiophen-2-yl-methanone
CID 649991
N-(2-methyl-2H-tetrazol-5-yl)thiophene-2-carboxamide
CID 938124
[3,5-bis(dimethylamino)-1H-1,2,4-triazol-1-yl](2-thienyl)methanone
CID 3744368
N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]thiophene-2-carboxamide
CID 2097024
N-[3-(1,2,4-triazol-1-yl)propyl]thiophene-2-carboxamide
CID 20266523
5-methyl-N-4H-1,2,4-triazol-4-yl-3-thiophenecarboxamide
CID 1244080
4-thiophen-2-yl-N-(1H-1,2,4-triazol-5-yl)butanamide
CID 30866887
N-(3-piperidin-1-yl-1H-1,2,4-triazol-5-yl)thiophene-2-carboxamide
CID 52474365
N-(4H-1,2,4-triazol-4-yl)thiophene-2-carboxamide
CID 573754
N-(2H-tetrazol-5-yl)thiophene-2-carboxamide
CID 3526982
2-fluoro-4-thiophen-2-yl-N-(1H-1,2,4-triazol-5-yl)benzamide
CID 37768024

Frequently Asked Questions

What is the IUPAC name of N-(1H-1,2,4-triazol-5-yl)thiophene-2-carboxamide?
The IUPAC name of N-(1H-1,2,4-triazol-5-yl)thiophene-2-carboxamide (CID 5026985) is N-(1H-1,2,4-triazol-5-yl)thiophene-2-carboxamide.
What is the SMILES notation for N-(1H-1,2,4-triazol-5-yl)thiophene-2-carboxamide?
The canonical SMILES for N-(1H-1,2,4-triazol-5-yl)thiophene-2-carboxamide is O=C(Nc1ncn[nH]1)c1cccs1.
What is the InChIKey of N-(1H-1,2,4-triazol-5-yl)thiophene-2-carboxamide?
The InChIKey is ZHVKNLKSDTUQPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N4OS/c12-6(5-2-1-3-13-5)10-7-8-4-9-11-7/h1-4H,(H2,8,9,10,11,12).
What are the key properties of N-(1H-1,2,4-triazol-5-yl)thiophene-2-carboxamide?
N-(1H-1,2,4-triazol-5-yl)thiophene-2-carboxamide has a molecular weight of 194.22 g/mol, XLogP of 1.12, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-1,2,4-triazol-5-yl)thiophene-2-carboxamide is sourced from PubChem (CID 5026985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).