N-cyclopropyl-2-(tetrazol-1-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

C13H15N5OS — CID 39354651

IUPACN-cyclopropyl-2-(tetrazol-1-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
SMILESO=C(NC1CC1)c1c(-n2cnnn2)sc2c1CCCC2
InChIInChI=1S/C13H15N5OS/c19-12(15-8-5-6-8)11-9-3-1-2-4-10(9)20-13(11)18-7-14-16-17-18/h7-8H,1-6H2,(H,15,19)
InChIKeyIUUXSBDIMMLPKR-UHFFFAOYSA-N
MW289.36 g/mol
LogP1.49
Rot. Bonds3

About N-cyclopropyl-2-(tetrazol-1-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

N-cyclopropyl-2-(tetrazol-1-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide (PubChem CID 39354651) has the molecular formula C13H15N5OS and a molecular weight of 289.36 g/mol. Its IUPAC name is N-cyclopropyl-2-(tetrazol-1-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-2-(tetrazol-1-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
PubChem CID39354651
Molecular FormulaC13H15N5OS
Molecular Weight289.36 g/mol
Exact Mass289.10
IUPAC NameN-cyclopropyl-2-(tetrazol-1-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
SMILESO=C(NC1CC1)c1c(-n2cnnn2)sc2c1CCCC2
InChIInChI=1S/C13H15N5OS/c19-12(15-8-5-6-8)11-9-3-1-2-4-10(9)20-13(11)18-7-14-16-17-18/h7-8H,1-6H2,(H,15,19)
InChIKeyIUUXSBDIMMLPKR-UHFFFAOYSA-N
XLogP1.49
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.36
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-(tetrazol-1-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide?
The IUPAC name of N-cyclopropyl-2-(tetrazol-1-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide (CID 39354651) is N-cyclopropyl-2-(tetrazol-1-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide.
What is the SMILES notation for N-cyclopropyl-2-(tetrazol-1-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide?
The canonical SMILES for N-cyclopropyl-2-(tetrazol-1-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide is O=C(NC1CC1)c1c(-n2cnnn2)sc2c1CCCC2.
What is the InChIKey of N-cyclopropyl-2-(tetrazol-1-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide?
The InChIKey is IUUXSBDIMMLPKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5OS/c19-12(15-8-5-6-8)11-9-3-1-2-4-10(9)20-13(11)18-7-14-16-17-18/h7-8H,1-6H2,(H,15,19).
What are the key properties of N-cyclopropyl-2-(tetrazol-1-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide?
N-cyclopropyl-2-(tetrazol-1-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide has a molecular weight of 289.36 g/mol, XLogP of 1.49, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-(tetrazol-1-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide is sourced from PubChem (CID 39354651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).