3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-1-ol

C6H10N2OS2 — CID 60626945

IUPAC3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-1-ol
SMILESCc1nnc(SCCCO)s1
InChIInChI=1S/C6H10N2OS2/c1-5-7-8-6(11-5)10-4-2-3-9/h9H,2-4H2,1H3
InChIKeyHSVYUSJZYMBZEA-UHFFFAOYSA-N
MW190.29 g/mol
LogP1.32
Rot. Bonds4

About 3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-1-ol

3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-1-ol (PubChem CID 60626945) has the molecular formula C6H10N2OS2 and a molecular weight of 190.29 g/mol. Its IUPAC name is 3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-1-ol.

Molecular Properties

Compound Name3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-1-ol
PubChem CID60626945
Molecular FormulaC6H10N2OS2
Molecular Weight190.29 g/mol
Exact Mass190.02
IUPAC Name3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-1-ol
SMILESCc1nnc(SCCCO)s1
InChIInChI=1S/C6H10N2OS2/c1-5-7-8-6(11-5)10-4-2-3-9/h9H,2-4H2,1H3
InChIKeyHSVYUSJZYMBZEA-UHFFFAOYSA-N
XLogP1.32
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 51.32
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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Frequently Asked Questions

What is the IUPAC name of 3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-1-ol?
The IUPAC name of 3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-1-ol (CID 60626945) is 3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-1-ol.
What is the SMILES notation for 3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-1-ol?
The canonical SMILES for 3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-1-ol is Cc1nnc(SCCCO)s1.
What is the InChIKey of 3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-1-ol?
The InChIKey is HSVYUSJZYMBZEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2OS2/c1-5-7-8-6(11-5)10-4-2-3-9/h9H,2-4H2,1H3.
What are the key properties of 3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-1-ol?
3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-1-ol has a molecular weight of 190.29 g/mol, XLogP of 1.32, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-1-ol is sourced from PubChem (CID 60626945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).