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

C16H14N8OS — CID 125431047

IUPAC4,5-dimethyl-2-(tetrazol-1-yl)-N-[3-(1H-1,2,4-triazol-5-yl)phenyl]thiophene-3-carboxamide
SMILESCc1sc(-n2cnnn2)c(C(=O)Nc2cccc(-c3ncn[nH]3)c2)c1C
InChIInChI=1S/C16H14N8OS/c1-9-10(2)26-16(24-8-19-22-23-24)13(9)15(25)20-12-5-3-4-11(6-12)14-17-7-18-21-14/h3-8H,1-2H3,(H,20,25)(H,17,18,21)
InChIKeyDAMCZRLRFMBPHD-UHFFFAOYSA-N
MW366.41 g/mol
LogP2.38
Rot. Bonds4

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

4,5-dimethyl-2-(tetrazol-1-yl)-N-[3-(1H-1,2,4-triazol-5-yl)phenyl]thiophene-3-carboxamide (PubChem CID 125431047) has the molecular formula C16H14N8OS and a molecular weight of 366.41 g/mol. Its IUPAC name is 4,5-dimethyl-2-(tetrazol-1-yl)-N-[3-(1H-1,2,4-triazol-5-yl)phenyl]thiophene-3-carboxamide.

Molecular Properties

Compound Name4,5-dimethyl-2-(tetrazol-1-yl)-N-[3-(1H-1,2,4-triazol-5-yl)phenyl]thiophene-3-carboxamide
PubChem CID125431047
Molecular FormulaC16H14N8OS
Molecular Weight366.41 g/mol
Exact Mass366.10
IUPAC Name4,5-dimethyl-2-(tetrazol-1-yl)-N-[3-(1H-1,2,4-triazol-5-yl)phenyl]thiophene-3-carboxamide
SMILESCc1sc(-n2cnnn2)c(C(=O)Nc2cccc(-c3ncn[nH]3)c2)c1C
InChIInChI=1S/C16H14N8OS/c1-9-10(2)26-16(24-8-19-22-23-24)13(9)15(25)20-12-5-3-4-11(6-12)14-17-7-18-21-14/h3-8H,1-2H3,(H,20,25)(H,17,18,21)
InChIKeyDAMCZRLRFMBPHD-UHFFFAOYSA-N
XLogP2.38
TPSA114.27 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.41
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-2-(tetrazol-1-yl)-N-[3-(1H-1,2,4-triazol-5-yl)phenyl]thiophene-3-carboxamide?
The IUPAC name of 4,5-dimethyl-2-(tetrazol-1-yl)-N-[3-(1H-1,2,4-triazol-5-yl)phenyl]thiophene-3-carboxamide (CID 125431047) is 4,5-dimethyl-2-(tetrazol-1-yl)-N-[3-(1H-1,2,4-triazol-5-yl)phenyl]thiophene-3-carboxamide.
What is the SMILES notation for 4,5-dimethyl-2-(tetrazol-1-yl)-N-[3-(1H-1,2,4-triazol-5-yl)phenyl]thiophene-3-carboxamide?
The canonical SMILES for 4,5-dimethyl-2-(tetrazol-1-yl)-N-[3-(1H-1,2,4-triazol-5-yl)phenyl]thiophene-3-carboxamide is Cc1sc(-n2cnnn2)c(C(=O)Nc2cccc(-c3ncn[nH]3)c2)c1C.
What is the InChIKey of 4,5-dimethyl-2-(tetrazol-1-yl)-N-[3-(1H-1,2,4-triazol-5-yl)phenyl]thiophene-3-carboxamide?
The InChIKey is DAMCZRLRFMBPHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N8OS/c1-9-10(2)26-16(24-8-19-22-23-24)13(9)15(25)20-12-5-3-4-11(6-12)14-17-7-18-21-14/h3-8H,1-2H3,(H,20,25)(H,17,18,21).
What are the key properties of 4,5-dimethyl-2-(tetrazol-1-yl)-N-[3-(1H-1,2,4-triazol-5-yl)phenyl]thiophene-3-carboxamide?
4,5-dimethyl-2-(tetrazol-1-yl)-N-[3-(1H-1,2,4-triazol-5-yl)phenyl]thiophene-3-carboxamide has a molecular weight of 366.41 g/mol, XLogP of 2.38, 4 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-[3-(1H-1,2,4-triazol-5-yl)phenyl]thiophene-3-carboxamide is sourced from PubChem (CID 125431047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).