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

C10H9N3OS2 — CID 4501316

IUPACN-(1,3,4-thiadiazol-2-yl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide
SMILESO=C(Nc1nncs1)c1cc2c(s1)CCC2
InChIInChI=1S/C10H9N3OS2/c14-9(12-10-13-11-5-15-10)8-4-6-2-1-3-7(6)16-8/h4-5H,1-3H2,(H,12,13,14)
InChIKeyHRJDZCVPMJRVIP-UHFFFAOYSA-N
MW251.34 g/mol
LogP2.34
Rot. Bonds2

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

N-(1,3,4-thiadiazol-2-yl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide (PubChem CID 4501316) has the molecular formula C10H9N3OS2 and a molecular weight of 251.34 g/mol. Its IUPAC name is N-(1,3,4-thiadiazol-2-yl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(1,3,4-thiadiazol-2-yl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide
PubChem CID4501316
Molecular FormulaC10H9N3OS2
Molecular Weight251.34 g/mol
Exact Mass251.02
IUPAC NameN-(1,3,4-thiadiazol-2-yl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide
SMILESO=C(Nc1nncs1)c1cc2c(s1)CCC2
InChIInChI=1S/C10H9N3OS2/c14-9(12-10-13-11-5-15-10)8-4-6-2-1-3-7(6)16-8/h4-5H,1-3H2,(H,12,13,14)
InChIKeyHRJDZCVPMJRVIP-UHFFFAOYSA-N
XLogP2.34
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.34
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1,3,4-thiadiazol-2-yl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide?
The IUPAC name of N-(1,3,4-thiadiazol-2-yl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide (CID 4501316) is N-(1,3,4-thiadiazol-2-yl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide.
What is the SMILES notation for N-(1,3,4-thiadiazol-2-yl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide?
The canonical SMILES for N-(1,3,4-thiadiazol-2-yl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide is O=C(Nc1nncs1)c1cc2c(s1)CCC2.
What is the InChIKey of N-(1,3,4-thiadiazol-2-yl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide?
The InChIKey is HRJDZCVPMJRVIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3OS2/c14-9(12-10-13-11-5-15-10)8-4-6-2-1-3-7(6)16-8/h4-5H,1-3H2,(H,12,13,14).
What are the key properties of N-(1,3,4-thiadiazol-2-yl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide?
N-(1,3,4-thiadiazol-2-yl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide has a molecular weight of 251.34 g/mol, XLogP of 2.34, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3,4-thiadiazol-2-yl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide is sourced from PubChem (CID 4501316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).