N-(2-methylpropyl)-2-(tetrazol-1-yl)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide

C13H17N5OS — CID 45491513

IUPACN-(2-methylpropyl)-2-(tetrazol-1-yl)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide
SMILESCC(C)CNC(=O)c1c(-n2cnnn2)sc2c1CCC2
InChIInChI=1S/C13H17N5OS/c1-8(2)6-14-12(19)11-9-4-3-5-10(9)20-13(11)18-7-15-16-17-18/h7-8H,3-6H2,1-2H3,(H,14,19)
InChIKeyJATMXSRMZHZJJN-UHFFFAOYSA-N
MW291.38 g/mol
LogP1.60
Rot. Bonds4

About N-(2-methylpropyl)-2-(tetrazol-1-yl)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide

N-(2-methylpropyl)-2-(tetrazol-1-yl)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide (PubChem CID 45491513) has the molecular formula C13H17N5OS and a molecular weight of 291.38 g/mol. Its IUPAC name is N-(2-methylpropyl)-2-(tetrazol-1-yl)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide.

Molecular Properties

Compound NameN-(2-methylpropyl)-2-(tetrazol-1-yl)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide
PubChem CID45491513
Molecular FormulaC13H17N5OS
Molecular Weight291.38 g/mol
Exact Mass291.12
IUPAC NameN-(2-methylpropyl)-2-(tetrazol-1-yl)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide
SMILESCC(C)CNC(=O)c1c(-n2cnnn2)sc2c1CCC2
InChIInChI=1S/C13H17N5OS/c1-8(2)6-14-12(19)11-9-4-3-5-10(9)20-13(11)18-7-15-16-17-18/h7-8H,3-6H2,1-2H3,(H,14,19)
InChIKeyJATMXSRMZHZJJN-UHFFFAOYSA-N
XLogP1.60
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.38
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)-2-(tetrazol-1-yl)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide?
The IUPAC name of N-(2-methylpropyl)-2-(tetrazol-1-yl)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide (CID 45491513) is N-(2-methylpropyl)-2-(tetrazol-1-yl)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide.
What is the SMILES notation for N-(2-methylpropyl)-2-(tetrazol-1-yl)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide?
The canonical SMILES for N-(2-methylpropyl)-2-(tetrazol-1-yl)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide is CC(C)CNC(=O)c1c(-n2cnnn2)sc2c1CCC2.
What is the InChIKey of N-(2-methylpropyl)-2-(tetrazol-1-yl)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide?
The InChIKey is JATMXSRMZHZJJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5OS/c1-8(2)6-14-12(19)11-9-4-3-5-10(9)20-13(11)18-7-15-16-17-18/h7-8H,3-6H2,1-2H3,(H,14,19).
What are the key properties of N-(2-methylpropyl)-2-(tetrazol-1-yl)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide?
N-(2-methylpropyl)-2-(tetrazol-1-yl)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide has a molecular weight of 291.38 g/mol, XLogP of 1.60, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)-2-(tetrazol-1-yl)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide is sourced from PubChem (CID 45491513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).