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

C8H15N3OS2 — CID 63736791

IUPAC1-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]butan-2-ol
SMILESCCC(O)CSc1nnc(N(C)C)s1
InChIInChI=1S/C8H15N3OS2/c1-4-6(12)5-13-8-10-9-7(14-8)11(2)3/h6,12H,4-5H2,1-3H3
InChIKeyCTVGWIGDBFTPEV-UHFFFAOYSA-N
MW233.36 g/mol
LogP1.47
Rot. Bonds5

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

1-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]butan-2-ol (PubChem CID 63736791) has the molecular formula C8H15N3OS2 and a molecular weight of 233.36 g/mol. Its IUPAC name is 1-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]butan-2-ol.

Molecular Properties

Compound Name1-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]butan-2-ol
PubChem CID63736791
Molecular FormulaC8H15N3OS2
Molecular Weight233.36 g/mol
Exact Mass233.07
IUPAC Name1-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]butan-2-ol
SMILESCCC(O)CSc1nnc(N(C)C)s1
InChIInChI=1S/C8H15N3OS2/c1-4-6(12)5-13-8-10-9-7(14-8)11(2)3/h6,12H,4-5H2,1-3H3
InChIKeyCTVGWIGDBFTPEV-UHFFFAOYSA-N
XLogP1.47
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
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

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Frequently Asked Questions

What is the IUPAC name of 1-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]butan-2-ol?
The IUPAC name of 1-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]butan-2-ol (CID 63736791) is 1-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]butan-2-ol.
What is the SMILES notation for 1-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]butan-2-ol?
The canonical SMILES for 1-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]butan-2-ol is CCC(O)CSc1nnc(N(C)C)s1.
What is the InChIKey of 1-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]butan-2-ol?
The InChIKey is CTVGWIGDBFTPEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3OS2/c1-4-6(12)5-13-8-10-9-7(14-8)11(2)3/h6,12H,4-5H2,1-3H3.
What are the key properties of 1-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]butan-2-ol?
1-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]butan-2-ol has a molecular weight of 233.36 g/mol, XLogP of 1.47, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]butan-2-ol is sourced from PubChem (CID 63736791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).