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

C10H10N8OS — CID 125433837

IUPAC4,5-dimethyl-2-(tetrazol-1-yl)-N-(1H-1,2,4-triazol-5-yl)thiophene-3-carboxamide
SMILESCc1sc(-n2cnnn2)c(C(=O)Nc2ncn[nH]2)c1C
InChIInChI=1S/C10H10N8OS/c1-5-6(2)20-9(18-4-13-16-17-18)7(5)8(19)14-10-11-3-12-15-10/h3-4H,1-2H3,(H2,11,12,14,15,19)
InChIKeyPVTMWFBYHAARFW-UHFFFAOYSA-N
MW290.31 g/mol
LogP0.71
Rot. Bonds3

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

4,5-dimethyl-2-(tetrazol-1-yl)-N-(1H-1,2,4-triazol-5-yl)thiophene-3-carboxamide (PubChem CID 125433837) has the molecular formula C10H10N8OS and a molecular weight of 290.31 g/mol. Its IUPAC name is 4,5-dimethyl-2-(tetrazol-1-yl)-N-(1H-1,2,4-triazol-5-yl)thiophene-3-carboxamide.

Molecular Properties

Compound Name4,5-dimethyl-2-(tetrazol-1-yl)-N-(1H-1,2,4-triazol-5-yl)thiophene-3-carboxamide
PubChem CID125433837
Molecular FormulaC10H10N8OS
Molecular Weight290.31 g/mol
Exact Mass290.07
IUPAC Name4,5-dimethyl-2-(tetrazol-1-yl)-N-(1H-1,2,4-triazol-5-yl)thiophene-3-carboxamide
SMILESCc1sc(-n2cnnn2)c(C(=O)Nc2ncn[nH]2)c1C
InChIInChI=1S/C10H10N8OS/c1-5-6(2)20-9(18-4-13-16-17-18)7(5)8(19)14-10-11-3-12-15-10/h3-4H,1-2H3,(H2,11,12,14,15,19)
InChIKeyPVTMWFBYHAARFW-UHFFFAOYSA-N
XLogP0.71
TPSA114.27 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.31
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

4,5-dimethyl-2-(tetrazol-1-yl)-N-[3-(1H-1,2,4-triazol-5-yl)phenyl]thiophene-3-carboxamide
CID 125431047
N-cycloheptyl-4,5-dimethyl-2-(tetrazol-1-yl)thiophene-3-carboxamide
CID 45492077
methyl 2-[[4,5-dimethyl-2-(tetrazol-1-yl)thiophene-3-carbonyl]amino]-1,3-benzothiazole-6-carboxylate
CID 125434232
N-[2-(4-hydroxyphenyl)ethyl]-4,5-dimethyl-2-(tetrazol-1-yl)thiophene-3-carboxamide
CID 125433878
4,5-dimethyl-N-[[(2R)-oxolan-2-yl]methyl]-2-(tetrazol-1-yl)thiophene-3-carboxamide
CID 125432810
4,5-dimethyl-N-[2-(2-phenylimidazol-1-yl)ethyl]-2-(tetrazol-1-yl)thiophene-3-carboxamide
CID 125432851
N-[2-hydroxy-2-(6-oxo-1H-pyridin-2-yl)ethyl]-4,5-dimethyl-2-(tetrazol-1-yl)thiophene-3-carboxamide
CID 163310420
4,5-dimethyl-2-pyrrol-1-yl-N'-[4-(tetrazol-1-yl)benzoyl]thiophene-3-carbohydrazide
CID 31261165
3,5-dimethyl-4-oxo-N-(1H-1,2,4-triazol-5-yl)thieno[2,3-d]pyrimidine-6-carboxamide
CID 30865272
4,5-dimethyl-N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]-2-(tetrazol-1-yl)thiophene-3-carboxamide
CID 125432731
4,5-dimethyl-N-[2-methyl-1-(1-methylbenzimidazol-2-yl)propyl]-2-(tetrazol-1-yl)thiophene-3-carboxamide
CID 128962606
formic acid;methyl 2-[(2R,5S)-5-[[[4,5-dimethyl-2-(tetrazol-1-yl)thiophene-3-carbonyl]amino]methyl]-1-methylpyrrolidin-2-yl]acetate
CID 171707065

Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-2-(tetrazol-1-yl)-N-(1H-1,2,4-triazol-5-yl)thiophene-3-carboxamide?
The IUPAC name of 4,5-dimethyl-2-(tetrazol-1-yl)-N-(1H-1,2,4-triazol-5-yl)thiophene-3-carboxamide (CID 125433837) is 4,5-dimethyl-2-(tetrazol-1-yl)-N-(1H-1,2,4-triazol-5-yl)thiophene-3-carboxamide.
What is the SMILES notation for 4,5-dimethyl-2-(tetrazol-1-yl)-N-(1H-1,2,4-triazol-5-yl)thiophene-3-carboxamide?
The canonical SMILES for 4,5-dimethyl-2-(tetrazol-1-yl)-N-(1H-1,2,4-triazol-5-yl)thiophene-3-carboxamide is Cc1sc(-n2cnnn2)c(C(=O)Nc2ncn[nH]2)c1C.
What is the InChIKey of 4,5-dimethyl-2-(tetrazol-1-yl)-N-(1H-1,2,4-triazol-5-yl)thiophene-3-carboxamide?
The InChIKey is PVTMWFBYHAARFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N8OS/c1-5-6(2)20-9(18-4-13-16-17-18)7(5)8(19)14-10-11-3-12-15-10/h3-4H,1-2H3,(H2,11,12,14,15,19).
What are the key properties of 4,5-dimethyl-2-(tetrazol-1-yl)-N-(1H-1,2,4-triazol-5-yl)thiophene-3-carboxamide?
4,5-dimethyl-2-(tetrazol-1-yl)-N-(1H-1,2,4-triazol-5-yl)thiophene-3-carboxamide has a molecular weight of 290.31 g/mol, XLogP of 0.71, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-2-(tetrazol-1-yl)-N-(1H-1,2,4-triazol-5-yl)thiophene-3-carboxamide is sourced from PubChem (CID 125433837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).