2-[(5-cyclopentyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanoic acid

C10H14N2O2S2 — CID 23006992

IUPAC2-[(5-cyclopentyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanoic acid
SMILESCC(Sc1nnc(C2CCCC2)s1)C(=O)O
InChIInChI=1S/C10H14N2O2S2/c1-6(9(13)14)15-10-12-11-8(16-10)7-4-2-3-5-7/h6-7H,2-5H2,1H3,(H,13,14)
InChIKeyAVYXQPBDDZDASF-UHFFFAOYSA-N
MW258.37 g/mol
LogP2.76
Rot. Bonds4

About 2-[(5-cyclopentyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanoic acid

2-[(5-cyclopentyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanoic acid (PubChem CID 23006992) has the molecular formula C10H14N2O2S2 and a molecular weight of 258.37 g/mol. Its IUPAC name is 2-[(5-cyclopentyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanoic acid.

Molecular Properties

Compound Name2-[(5-cyclopentyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanoic acid
PubChem CID23006992
Molecular FormulaC10H14N2O2S2
Molecular Weight258.37 g/mol
Exact Mass258.05
IUPAC Name2-[(5-cyclopentyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanoic acid
SMILESCC(Sc1nnc(C2CCCC2)s1)C(=O)O
InChIInChI=1S/C10H14N2O2S2/c1-6(9(13)14)15-10-12-11-8(16-10)7-4-2-3-5-7/h6-7H,2-5H2,1H3,(H,13,14)
InChIKeyAVYXQPBDDZDASF-UHFFFAOYSA-N
XLogP2.76
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.37
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-cyclopentyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanoic acid?
The IUPAC name of 2-[(5-cyclopentyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanoic acid (CID 23006992) is 2-[(5-cyclopentyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanoic acid.
What is the SMILES notation for 2-[(5-cyclopentyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanoic acid?
The canonical SMILES for 2-[(5-cyclopentyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanoic acid is CC(Sc1nnc(C2CCCC2)s1)C(=O)O.
What is the InChIKey of 2-[(5-cyclopentyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanoic acid?
The InChIKey is AVYXQPBDDZDASF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2S2/c1-6(9(13)14)15-10-12-11-8(16-10)7-4-2-3-5-7/h6-7H,2-5H2,1H3,(H,13,14).
What are the key properties of 2-[(5-cyclopentyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanoic acid?
2-[(5-cyclopentyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanoic acid has a molecular weight of 258.37 g/mol, XLogP of 2.76, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-cyclopentyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanoic acid is sourced from PubChem (CID 23006992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).