4-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]butan-1-ol

C8H15N3OS2 — CID 63739240

IUPAC4-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]butan-1-ol
SMILESCN(C)c1nnc(SCCCCO)s1
InChIInChI=1S/C8H15N3OS2/c1-11(2)7-9-10-8(14-7)13-6-4-3-5-12/h12H,3-6H2,1-2H3
InChIKeyANPQQGMSVSMEFG-UHFFFAOYSA-N
MW233.36 g/mol
LogP1.47
Rot. Bonds6

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

4-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]butan-1-ol (PubChem CID 63739240) has the molecular formula C8H15N3OS2 and a molecular weight of 233.36 g/mol. Its IUPAC name is 4-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]butan-1-ol.

Molecular Properties

Compound Name4-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]butan-1-ol
PubChem CID63739240
Molecular FormulaC8H15N3OS2
Molecular Weight233.36 g/mol
Exact Mass233.07
IUPAC Name4-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]butan-1-ol
SMILESCN(C)c1nnc(SCCCCO)s1
InChIInChI=1S/C8H15N3OS2/c1-11(2)7-9-10-8(14-7)13-6-4-3-5-12/h12H,3-6H2,1-2H3
InChIKeyANPQQGMSVSMEFG-UHFFFAOYSA-N
XLogP1.47
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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 4-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]butan-1-ol?
The IUPAC name of 4-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]butan-1-ol (CID 63739240) is 4-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]butan-1-ol.
What is the SMILES notation for 4-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]butan-1-ol?
The canonical SMILES for 4-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]butan-1-ol is CN(C)c1nnc(SCCCCO)s1.
What is the InChIKey of 4-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]butan-1-ol?
The InChIKey is ANPQQGMSVSMEFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3OS2/c1-11(2)7-9-10-8(14-7)13-6-4-3-5-12/h12H,3-6H2,1-2H3.
What are the key properties of 4-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]butan-1-ol?
4-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]butan-1-ol has a molecular weight of 233.36 g/mol, XLogP of 1.47, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]butan-1-ol is sourced from PubChem (CID 63739240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).