N-(2-methyltetrazol-5-yl)-1-benzothiophene-2-carboxamide

C11H9N5OS — CID 75430284

IUPACN-(2-methyltetrazol-5-yl)-1-benzothiophene-2-carboxamide
SMILESCn1nnc(NC(=O)c2cc3ccccc3s2)n1
InChIInChI=1S/C11H9N5OS/c1-16-14-11(13-15-16)12-10(17)9-6-7-4-2-3-5-8(7)18-9/h2-6H,1H3,(H,12,14,17)
InChIKeyFUUGSRHUFLKEPB-UHFFFAOYSA-N
MW259.29 g/mol
LogP1.68
Rot. Bonds2

About N-(2-methyltetrazol-5-yl)-1-benzothiophene-2-carboxamide

N-(2-methyltetrazol-5-yl)-1-benzothiophene-2-carboxamide (PubChem CID 75430284) has the molecular formula C11H9N5OS and a molecular weight of 259.29 g/mol. Its IUPAC name is N-(2-methyltetrazol-5-yl)-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound NameN-(2-methyltetrazol-5-yl)-1-benzothiophene-2-carboxamide
PubChem CID75430284
Molecular FormulaC11H9N5OS
Molecular Weight259.29 g/mol
Exact Mass259.05
IUPAC NameN-(2-methyltetrazol-5-yl)-1-benzothiophene-2-carboxamide
SMILESCn1nnc(NC(=O)c2cc3ccccc3s2)n1
InChIInChI=1S/C11H9N5OS/c1-16-14-11(13-15-16)12-10(17)9-6-7-4-2-3-5-8(7)18-9/h2-6H,1H3,(H,12,14,17)
InChIKeyFUUGSRHUFLKEPB-UHFFFAOYSA-N
XLogP1.68
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.29
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(1-methylpyrazol-4-yl)-1-benzothiophene-2-carboxamide
CID 32605407
N-(2,6-dimethylphenyl)-1-benzothiophene-2-carboxamide
CID 27844987
N-(5-amino-1,3,4-thiadiazol-2-yl)-1-benzothiophene-2-carboxamide
CID 79513540
N-(2-hydroxyphenyl)-1-benzothiophene-2-carboxamide
CID 51250610
(1-benzothiophene-2-carbonylamino)urea
CID 57488392
4-tert-butyl-N-(2-methyltetrazol-5-yl)benzamide
CID 645076
N-(4-bromo-2,6-dimethylphenyl)-1-benzothiophene-2-carboxamide
CID 60793818
N-(4-methyl-2-pyridinyl)-1-benzothiophene-2-carboxamide
CID 35029727
N-(4-aminophenyl)-1-benzothiophene-2-carboxamide
CID 22612941
N-[5-methyl-1-(3-methylphenyl)pyrazol-3-yl]-1-benzothiophene-2-carboxamide
CID 46107140
4-amino-3-hydroxy-N-(2-methyltetrazol-5-yl)benzamide
CID 137006878
N-[5-(cyclopropylamino)-1,3,4-thiadiazol-2-yl]-1-benzothiophene-2-carboxamide
CID 509754

Frequently Asked Questions

What is the IUPAC name of N-(2-methyltetrazol-5-yl)-1-benzothiophene-2-carboxamide?
The IUPAC name of N-(2-methyltetrazol-5-yl)-1-benzothiophene-2-carboxamide (CID 75430284) is N-(2-methyltetrazol-5-yl)-1-benzothiophene-2-carboxamide.
What is the SMILES notation for N-(2-methyltetrazol-5-yl)-1-benzothiophene-2-carboxamide?
The canonical SMILES for N-(2-methyltetrazol-5-yl)-1-benzothiophene-2-carboxamide is Cn1nnc(NC(=O)c2cc3ccccc3s2)n1.
What is the InChIKey of N-(2-methyltetrazol-5-yl)-1-benzothiophene-2-carboxamide?
The InChIKey is FUUGSRHUFLKEPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N5OS/c1-16-14-11(13-15-16)12-10(17)9-6-7-4-2-3-5-8(7)18-9/h2-6H,1H3,(H,12,14,17).
What are the key properties of N-(2-methyltetrazol-5-yl)-1-benzothiophene-2-carboxamide?
N-(2-methyltetrazol-5-yl)-1-benzothiophene-2-carboxamide has a molecular weight of 259.29 g/mol, XLogP of 1.68, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyltetrazol-5-yl)-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 75430284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).