4-methyl-N-[2-(triazol-2-yl)ethyl]thiophene-2-carboxamide

C10H12N4OS — CID 121177066

IUPAC4-methyl-N-[2-(triazol-2-yl)ethyl]thiophene-2-carboxamide
SMILESCc1csc(C(=O)NCCn2nccn2)c1
InChIInChI=1S/C10H12N4OS/c1-8-6-9(16-7-8)10(15)11-4-5-14-12-2-3-13-14/h2-3,6-7H,4-5H2,1H3,(H,11,15)
InChIKeyWTZCYVWZODBKKS-UHFFFAOYSA-N
MW236.30 g/mol
LogP1.08
Rot. Bonds4

About 4-methyl-N-[2-(triazol-2-yl)ethyl]thiophene-2-carboxamide

4-methyl-N-[2-(triazol-2-yl)ethyl]thiophene-2-carboxamide (PubChem CID 121177066) has the molecular formula C10H12N4OS and a molecular weight of 236.30 g/mol. Its IUPAC name is 4-methyl-N-[2-(triazol-2-yl)ethyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name4-methyl-N-[2-(triazol-2-yl)ethyl]thiophene-2-carboxamide
PubChem CID121177066
Molecular FormulaC10H12N4OS
Molecular Weight236.30 g/mol
Exact Mass236.07
IUPAC Name4-methyl-N-[2-(triazol-2-yl)ethyl]thiophene-2-carboxamide
SMILESCc1csc(C(=O)NCCn2nccn2)c1
InChIInChI=1S/C10H12N4OS/c1-8-6-9(16-7-8)10(15)11-4-5-14-12-2-3-13-14/h2-3,6-7H,4-5H2,1H3,(H,11,15)
InChIKeyWTZCYVWZODBKKS-UHFFFAOYSA-N
XLogP1.08
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.30
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[2-(triazol-2-yl)ethyl]thiophene-2-carboxamide?
The IUPAC name of 4-methyl-N-[2-(triazol-2-yl)ethyl]thiophene-2-carboxamide (CID 121177066) is 4-methyl-N-[2-(triazol-2-yl)ethyl]thiophene-2-carboxamide.
What is the SMILES notation for 4-methyl-N-[2-(triazol-2-yl)ethyl]thiophene-2-carboxamide?
The canonical SMILES for 4-methyl-N-[2-(triazol-2-yl)ethyl]thiophene-2-carboxamide is Cc1csc(C(=O)NCCn2nccn2)c1.
What is the InChIKey of 4-methyl-N-[2-(triazol-2-yl)ethyl]thiophene-2-carboxamide?
The InChIKey is WTZCYVWZODBKKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4OS/c1-8-6-9(16-7-8)10(15)11-4-5-14-12-2-3-13-14/h2-3,6-7H,4-5H2,1H3,(H,11,15).
What are the key properties of 4-methyl-N-[2-(triazol-2-yl)ethyl]thiophene-2-carboxamide?
4-methyl-N-[2-(triazol-2-yl)ethyl]thiophene-2-carboxamide has a molecular weight of 236.30 g/mol, XLogP of 1.08, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[2-(triazol-2-yl)ethyl]thiophene-2-carboxamide is sourced from PubChem (CID 121177066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).