N-(1,2,4-triazol-4-yl)-1-benzothiophene-3-carboxamide

C11H8N4OS — CID 1246153

IUPACN-(1,2,4-triazol-4-yl)-1-benzothiophene-3-carboxamide
SMILESO=C(Nn1cnnc1)c1csc2ccccc12
InChIInChI=1S/C11H8N4OS/c16-11(14-15-6-12-13-7-15)9-5-17-10-4-2-1-3-8(9)10/h1-7H,(H,14,16)
InChIKeyYUQZZTXHWAMNSK-UHFFFAOYSA-N
MW244.28 g/mol
LogP1.88
Rot. Bonds2

About N-(1,2,4-triazol-4-yl)-1-benzothiophene-3-carboxamide

N-(1,2,4-triazol-4-yl)-1-benzothiophene-3-carboxamide (PubChem CID 1246153) has the molecular formula C11H8N4OS and a molecular weight of 244.28 g/mol. Its IUPAC name is N-(1,2,4-triazol-4-yl)-1-benzothiophene-3-carboxamide.

Molecular Properties

Compound NameN-(1,2,4-triazol-4-yl)-1-benzothiophene-3-carboxamide
PubChem CID1246153
Molecular FormulaC11H8N4OS
Molecular Weight244.28 g/mol
Exact Mass244.04
IUPAC NameN-(1,2,4-triazol-4-yl)-1-benzothiophene-3-carboxamide
SMILESO=C(Nn1cnnc1)c1csc2ccccc12
InChIInChI=1S/C11H8N4OS/c16-11(14-15-6-12-13-7-15)9-5-17-10-4-2-1-3-8(9)10/h1-7H,(H,14,16)
InChIKeyYUQZZTXHWAMNSK-UHFFFAOYSA-N
XLogP1.88
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.28
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1,2,4-triazol-4-yl)-1-benzothiophene-3-carboxamide?
The IUPAC name of N-(1,2,4-triazol-4-yl)-1-benzothiophene-3-carboxamide (CID 1246153) is N-(1,2,4-triazol-4-yl)-1-benzothiophene-3-carboxamide.
What is the SMILES notation for N-(1,2,4-triazol-4-yl)-1-benzothiophene-3-carboxamide?
The canonical SMILES for N-(1,2,4-triazol-4-yl)-1-benzothiophene-3-carboxamide is O=C(Nn1cnnc1)c1csc2ccccc12.
What is the InChIKey of N-(1,2,4-triazol-4-yl)-1-benzothiophene-3-carboxamide?
The InChIKey is YUQZZTXHWAMNSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N4OS/c16-11(14-15-6-12-13-7-15)9-5-17-10-4-2-1-3-8(9)10/h1-7H,(H,14,16).
What are the key properties of N-(1,2,4-triazol-4-yl)-1-benzothiophene-3-carboxamide?
N-(1,2,4-triazol-4-yl)-1-benzothiophene-3-carboxamide has a molecular weight of 244.28 g/mol, XLogP of 1.88, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2,4-triazol-4-yl)-1-benzothiophene-3-carboxamide is sourced from PubChem (CID 1246153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).