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

C12H15N5OS — CID 45491588

IUPACN-propyl-2-(tetrazol-1-yl)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide
SMILESCCCNC(=O)c1c(-n2cnnn2)sc2c1CCC2
InChIInChI=1S/C12H15N5OS/c1-2-6-13-11(18)10-8-4-3-5-9(8)19-12(10)17-7-14-15-16-17/h7H,2-6H2,1H3,(H,13,18)
InChIKeyKFUCWNVIBLWMHG-UHFFFAOYSA-N
MW277.35 g/mol
LogP1.35
Rot. Bonds4

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

N-propyl-2-(tetrazol-1-yl)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide (PubChem CID 45491588) has the molecular formula C12H15N5OS and a molecular weight of 277.35 g/mol. Its IUPAC name is N-propyl-2-(tetrazol-1-yl)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide.

Molecular Properties

Compound NameN-propyl-2-(tetrazol-1-yl)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide
PubChem CID45491588
Molecular FormulaC12H15N5OS
Molecular Weight277.35 g/mol
Exact Mass277.10
IUPAC NameN-propyl-2-(tetrazol-1-yl)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide
SMILESCCCNC(=O)c1c(-n2cnnn2)sc2c1CCC2
InChIInChI=1S/C12H15N5OS/c1-2-6-13-11(18)10-8-4-3-5-9(8)19-12(10)17-7-14-15-16-17/h7H,2-6H2,1H3,(H,13,18)
InChIKeyKFUCWNVIBLWMHG-UHFFFAOYSA-N
XLogP1.35
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.35
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-propyl-2-(tetrazol-1-yl)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide?
The IUPAC name of N-propyl-2-(tetrazol-1-yl)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide (CID 45491588) is N-propyl-2-(tetrazol-1-yl)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide.
What is the SMILES notation for N-propyl-2-(tetrazol-1-yl)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide?
The canonical SMILES for N-propyl-2-(tetrazol-1-yl)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide is CCCNC(=O)c1c(-n2cnnn2)sc2c1CCC2.
What is the InChIKey of N-propyl-2-(tetrazol-1-yl)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide?
The InChIKey is KFUCWNVIBLWMHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5OS/c1-2-6-13-11(18)10-8-4-3-5-9(8)19-12(10)17-7-14-15-16-17/h7H,2-6H2,1H3,(H,13,18).
What are the key properties of N-propyl-2-(tetrazol-1-yl)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide?
N-propyl-2-(tetrazol-1-yl)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide has a molecular weight of 277.35 g/mol, XLogP of 1.35, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-2-(tetrazol-1-yl)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide is sourced from PubChem (CID 45491588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).