5-(1,3,4-thiadiazol-2-ylsulfanyl)pentanoic acid

C7H10N2O2S2 — CID 28971695

IUPAC5-(1,3,4-thiadiazol-2-ylsulfanyl)pentanoic acid
SMILESO=C(O)CCCCSc1nncs1
InChIInChI=1S/C7H10N2O2S2/c10-6(11)3-1-2-4-12-7-9-8-5-13-7/h5H,1-4H2,(H,10,11)
InChIKeyCXWHRWQYQYBWQL-UHFFFAOYSA-N
MW218.30 g/mol
LogP1.89
Rot. Bonds6

About 5-(1,3,4-thiadiazol-2-ylsulfanyl)pentanoic acid

5-(1,3,4-thiadiazol-2-ylsulfanyl)pentanoic acid (PubChem CID 28971695) has the molecular formula C7H10N2O2S2 and a molecular weight of 218.30 g/mol. Its IUPAC name is 5-(1,3,4-thiadiazol-2-ylsulfanyl)pentanoic acid.

Molecular Properties

Compound Name5-(1,3,4-thiadiazol-2-ylsulfanyl)pentanoic acid
PubChem CID28971695
Molecular FormulaC7H10N2O2S2
Molecular Weight218.30 g/mol
Exact Mass218.02
IUPAC Name5-(1,3,4-thiadiazol-2-ylsulfanyl)pentanoic acid
SMILESO=C(O)CCCCSc1nncs1
InChIInChI=1S/C7H10N2O2S2/c10-6(11)3-1-2-4-12-7-9-8-5-13-7/h5H,1-4H2,(H,10,11)
InChIKeyCXWHRWQYQYBWQL-UHFFFAOYSA-N
XLogP1.89
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-phenyl-4-(1,3,4-thiadiazol-2-ylsulfanyl)butan-1-one
CID 43413986
N-carbamoyl-3-(1,3,4-thiadiazol-2-ylsulfanyl)propanamide
CID 47135643
hydrazinyl 3-(1,3,4-thiadiazol-2-ylsulfanyl)propanoate
CID 66337521
2-(methylamino)-4-(1,3,4-thiadiazol-2-ylsulfanyl)butanoic acid
CID 63033794
N-tert-butyl-4-(1,3,4-thiadiazol-2-ylsulfanyl)butan-1-amine
CID 62577258
2-amino-2-methyl-5-(1,3,4-thiadiazol-2-ylsulfanyl)pentan-1-ol
CID 64806204
N-[4-(1,3,4-thiadiazol-2-ylsulfanyl)butyl]cyclopropanamine
CID 62577257
1-amino-2-methyl-5-(1,3,4-thiadiazol-2-ylsulfanyl)pentan-2-ol
CID 64812783
2-(propan-2-ylamino)-4-(1,3,4-thiadiazol-2-ylsulfanyl)butanoic acid
CID 63033978
2-[3-(1,3,4-thiadiazol-2-ylsulfanyl)propanoylamino]thiophene-3-carboxamide
CID 47136233
2-(ethylamino)-2-methyl-6-(1,3,4-thiadiazol-2-ylsulfanyl)hexan-1-ol
CID 64806619
5-(1,3,4-thiadiazol-2-ylsulfanylmethyl)furan-3-carboxylic acid
CID 62269749

Frequently Asked Questions

What is the IUPAC name of 5-(1,3,4-thiadiazol-2-ylsulfanyl)pentanoic acid?
The IUPAC name of 5-(1,3,4-thiadiazol-2-ylsulfanyl)pentanoic acid (CID 28971695) is 5-(1,3,4-thiadiazol-2-ylsulfanyl)pentanoic acid.
What is the SMILES notation for 5-(1,3,4-thiadiazol-2-ylsulfanyl)pentanoic acid?
The canonical SMILES for 5-(1,3,4-thiadiazol-2-ylsulfanyl)pentanoic acid is O=C(O)CCCCSc1nncs1.
What is the InChIKey of 5-(1,3,4-thiadiazol-2-ylsulfanyl)pentanoic acid?
The InChIKey is CXWHRWQYQYBWQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O2S2/c10-6(11)3-1-2-4-12-7-9-8-5-13-7/h5H,1-4H2,(H,10,11).
What are the key properties of 5-(1,3,4-thiadiazol-2-ylsulfanyl)pentanoic acid?
5-(1,3,4-thiadiazol-2-ylsulfanyl)pentanoic acid has a molecular weight of 218.30 g/mol, XLogP of 1.89, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,3,4-thiadiazol-2-ylsulfanyl)pentanoic acid is sourced from PubChem (CID 28971695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).