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

C15H13N5O2S — CID 45493298

IUPACN-(3-hydroxyphenyl)-2-(tetrazol-1-yl)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide
SMILESO=C(Nc1cccc(O)c1)c1c(-n2cnnn2)sc2c1CCC2
InChIInChI=1S/C15H13N5O2S/c21-10-4-1-3-9(7-10)17-14(22)13-11-5-2-6-12(11)23-15(13)20-8-16-18-19-20/h1,3-4,7-8,21H,2,5-6H2,(H,17,22)
InChIKeyBTKUXNVUWOUPLK-UHFFFAOYSA-N
MW327.37 g/mol
LogP2.17
Rot. Bonds3

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

N-(3-hydroxyphenyl)-2-(tetrazol-1-yl)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide (PubChem CID 45493298) has the molecular formula C15H13N5O2S and a molecular weight of 327.37 g/mol. Its IUPAC name is N-(3-hydroxyphenyl)-2-(tetrazol-1-yl)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide.

Molecular Properties

Compound NameN-(3-hydroxyphenyl)-2-(tetrazol-1-yl)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide
PubChem CID45493298
Molecular FormulaC15H13N5O2S
Molecular Weight327.37 g/mol
Exact Mass327.08
IUPAC NameN-(3-hydroxyphenyl)-2-(tetrazol-1-yl)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide
SMILESO=C(Nc1cccc(O)c1)c1c(-n2cnnn2)sc2c1CCC2
InChIInChI=1S/C15H13N5O2S/c21-10-4-1-3-9(7-10)17-14(22)13-11-5-2-6-12(11)23-15(13)20-8-16-18-19-20/h1,3-4,7-8,21H,2,5-6H2,(H,17,22)
InChIKeyBTKUXNVUWOUPLK-UHFFFAOYSA-N
XLogP2.17
TPSA92.93 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.37
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxyphenyl)-2-(tetrazol-1-yl)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide?
The IUPAC name of N-(3-hydroxyphenyl)-2-(tetrazol-1-yl)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide (CID 45493298) is N-(3-hydroxyphenyl)-2-(tetrazol-1-yl)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide.
What is the SMILES notation for N-(3-hydroxyphenyl)-2-(tetrazol-1-yl)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide?
The canonical SMILES for N-(3-hydroxyphenyl)-2-(tetrazol-1-yl)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide is O=C(Nc1cccc(O)c1)c1c(-n2cnnn2)sc2c1CCC2.
What is the InChIKey of N-(3-hydroxyphenyl)-2-(tetrazol-1-yl)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide?
The InChIKey is BTKUXNVUWOUPLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N5O2S/c21-10-4-1-3-9(7-10)17-14(22)13-11-5-2-6-12(11)23-15(13)20-8-16-18-19-20/h1,3-4,7-8,21H,2,5-6H2,(H,17,22).
What are the key properties of N-(3-hydroxyphenyl)-2-(tetrazol-1-yl)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide?
N-(3-hydroxyphenyl)-2-(tetrazol-1-yl)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide has a molecular weight of 327.37 g/mol, XLogP of 2.17, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxyphenyl)-2-(tetrazol-1-yl)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide is sourced from PubChem (CID 45493298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).