3-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methylsulfanyl]propan-1-ol

C10H12N2O2S2 — CID 66126795

IUPAC3-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methylsulfanyl]propan-1-ol
SMILESOCCCSCc1nnc(-c2cccs2)o1
InChIInChI=1S/C10H12N2O2S2/c13-4-2-5-15-7-9-11-12-10(14-9)8-3-1-6-16-8/h1,3,6,13H,2,4-5,7H2
InChIKeyOEDKTUIXCWXZMA-UHFFFAOYSA-N
MW256.35 g/mol
LogP2.41
Rot. Bonds6

About 3-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methylsulfanyl]propan-1-ol

3-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methylsulfanyl]propan-1-ol (PubChem CID 66126795) has the molecular formula C10H12N2O2S2 and a molecular weight of 256.35 g/mol. Its IUPAC name is 3-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methylsulfanyl]propan-1-ol.

Molecular Properties

Compound Name3-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methylsulfanyl]propan-1-ol
PubChem CID66126795
Molecular FormulaC10H12N2O2S2
Molecular Weight256.35 g/mol
Exact Mass256.03
IUPAC Name3-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methylsulfanyl]propan-1-ol
SMILESOCCCSCc1nnc(-c2cccs2)o1
InChIInChI=1S/C10H12N2O2S2/c13-4-2-5-15-7-9-11-12-10(14-9)8-3-1-6-16-8/h1,3,6,13H,2,4-5,7H2
InChIKeyOEDKTUIXCWXZMA-UHFFFAOYSA-N
XLogP2.41
TPSA59.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 3-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methylsulfanyl]propan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methanol
CID 43558918
3-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methylsulfanyl]propan-1-ol
CID 66128721
1-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methylsulfanyl]propan-2-amine
CID 66218968
2-amino-3-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methylsulfanyl]propanoic acid
CID 43385486
2-methyl-3-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methylsulfanyl]propanoic acid
CID 64915706
2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methylsulfanyl]pyrimidine-4,6-diamine
CID 4786816
methyl (2R)-2-methyl-3-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methylsulfanyl]propanoate
CID 96504797
2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methylsulfanyl]benzoic acid
CID 43092573
2-(methoxymethyl)-5-thiophen-2-yl-1,3,4-oxadiazole
CID 53017470
3-[[5-(5-bromothiophen-2-yl)-1,3,4-oxadiazol-2-yl]methylsulfanyl]propan-1-amine
CID 66218819
3-fluoro-4-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methylsulfanyl]aniline
CID 43303654
2-(4-nitrophenyl)-5-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]-1,3,4-oxadiazole
CID 30777574

Frequently Asked Questions

What is the IUPAC name of 3-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methylsulfanyl]propan-1-ol?
The IUPAC name of 3-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methylsulfanyl]propan-1-ol (CID 66126795) is 3-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methylsulfanyl]propan-1-ol.
What is the SMILES notation for 3-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methylsulfanyl]propan-1-ol?
The canonical SMILES for 3-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methylsulfanyl]propan-1-ol is OCCCSCc1nnc(-c2cccs2)o1.
What is the InChIKey of 3-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methylsulfanyl]propan-1-ol?
The InChIKey is OEDKTUIXCWXZMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O2S2/c13-4-2-5-15-7-9-11-12-10(14-9)8-3-1-6-16-8/h1,3,6,13H,2,4-5,7H2.
What are the key properties of 3-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methylsulfanyl]propan-1-ol?
3-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methylsulfanyl]propan-1-ol has a molecular weight of 256.35 g/mol, XLogP of 2.41, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methylsulfanyl]propan-1-ol is sourced from PubChem (CID 66126795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).