6-fluoro-N-[1-(2H-tetrazol-5-yl)ethyl]-1-benzothiophene-2-carboxamide

C12H10FN5OS — CID 81104107

IUPAC6-fluoro-N-[1-(2H-tetrazol-5-yl)ethyl]-1-benzothiophene-2-carboxamide
SMILESCC(NC(=O)c1cc2ccc(F)cc2s1)c1nn[nH]n1
InChIInChI=1S/C12H10FN5OS/c1-6(11-15-17-18-16-11)14-12(19)10-4-7-2-3-8(13)5-9(7)20-10/h2-6H,1H3,(H,14,19)(H,15,16,17,18)
InChIKeyAGCSMYMKNFTGNI-UHFFFAOYSA-N
MW291.31 g/mol
LogP2.04
Rot. Bonds3

About 6-fluoro-N-[1-(2H-tetrazol-5-yl)ethyl]-1-benzothiophene-2-carboxamide

6-fluoro-N-[1-(2H-tetrazol-5-yl)ethyl]-1-benzothiophene-2-carboxamide (PubChem CID 81104107) has the molecular formula C12H10FN5OS and a molecular weight of 291.31 g/mol. Its IUPAC name is 6-fluoro-N-[1-(2H-tetrazol-5-yl)ethyl]-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name6-fluoro-N-[1-(2H-tetrazol-5-yl)ethyl]-1-benzothiophene-2-carboxamide
PubChem CID81104107
Molecular FormulaC12H10FN5OS
Molecular Weight291.31 g/mol
Exact Mass291.06
IUPAC Name6-fluoro-N-[1-(2H-tetrazol-5-yl)ethyl]-1-benzothiophene-2-carboxamide
SMILESCC(NC(=O)c1cc2ccc(F)cc2s1)c1nn[nH]n1
InChIInChI=1S/C12H10FN5OS/c1-6(11-15-17-18-16-11)14-12(19)10-4-7-2-3-8(13)5-9(7)20-10/h2-6H,1H3,(H,14,19)(H,15,16,17,18)
InChIKeyAGCSMYMKNFTGNI-UHFFFAOYSA-N
XLogP2.04
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.31
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-N-[1-(2H-tetrazol-5-yl)ethyl]-1-benzothiophene-2-carboxamide?
The IUPAC name of 6-fluoro-N-[1-(2H-tetrazol-5-yl)ethyl]-1-benzothiophene-2-carboxamide (CID 81104107) is 6-fluoro-N-[1-(2H-tetrazol-5-yl)ethyl]-1-benzothiophene-2-carboxamide.
What is the SMILES notation for 6-fluoro-N-[1-(2H-tetrazol-5-yl)ethyl]-1-benzothiophene-2-carboxamide?
The canonical SMILES for 6-fluoro-N-[1-(2H-tetrazol-5-yl)ethyl]-1-benzothiophene-2-carboxamide is CC(NC(=O)c1cc2ccc(F)cc2s1)c1nn[nH]n1.
What is the InChIKey of 6-fluoro-N-[1-(2H-tetrazol-5-yl)ethyl]-1-benzothiophene-2-carboxamide?
The InChIKey is AGCSMYMKNFTGNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10FN5OS/c1-6(11-15-17-18-16-11)14-12(19)10-4-7-2-3-8(13)5-9(7)20-10/h2-6H,1H3,(H,14,19)(H,15,16,17,18).
What are the key properties of 6-fluoro-N-[1-(2H-tetrazol-5-yl)ethyl]-1-benzothiophene-2-carboxamide?
6-fluoro-N-[1-(2H-tetrazol-5-yl)ethyl]-1-benzothiophene-2-carboxamide has a molecular weight of 291.31 g/mol, XLogP of 2.04, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-N-[1-(2H-tetrazol-5-yl)ethyl]-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 81104107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).