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

C7H12N2OS2 — CID 22367316

IUPAC1-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]butan-2-ol
SMILESCCC(O)CSc1nnc(C)s1
InChIInChI=1S/C7H12N2OS2/c1-3-6(10)4-11-7-9-8-5(2)12-7/h6,10H,3-4H2,1-2H3
InChIKeyOXXXDNVNQFPFDU-UHFFFAOYSA-N
MW204.32 g/mol
LogP1.71
Rot. Bonds4

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

1-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]butan-2-ol (PubChem CID 22367316) has the molecular formula C7H12N2OS2 and a molecular weight of 204.32 g/mol. Its IUPAC name is 1-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]butan-2-ol.

Molecular Properties

Compound Name1-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]butan-2-ol
PubChem CID22367316
Molecular FormulaC7H12N2OS2
Molecular Weight204.32 g/mol
Exact Mass204.04
IUPAC Name1-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]butan-2-ol
SMILESCCC(O)CSc1nnc(C)s1
InChIInChI=1S/C7H12N2OS2/c1-3-6(10)4-11-7-9-8-5(2)12-7/h6,10H,3-4H2,1-2H3
InChIKeyOXXXDNVNQFPFDU-UHFFFAOYSA-N
XLogP1.71
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.32
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]butan-2-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

2-[(5-Methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanol
CID 53520682
1,1,1-Trifluoro-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-2-ol
CID 63900020
3-[[5-(Trifluoromethyl)-1,3,4-thiadiazol-2-yl]sulfanyl]butan-2-ol
CID 104985835
3-[[5-(Trifluoromethyl)-1,3,4-thiadiazol-2-yl]sulfanyl]butan-1-ol
CID 114449824
(2S)-1-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]sulfanyl]butan-2-ol
CID 131963686
1-Fluoro-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-2-ol
CID 165601413
4-[(5-Methyl-1,3,4-thiadiazol-2-yl)sulfanyl]but-2-yn-1-ol
CID 3267717
1-[(5-Methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-2-ol
CID 60878426
1-[(5-Methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanol
CID 175232171
(2R)-1-(2-hydroxyethoxy)-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-2-ol
CID 2006805
(2S)-1-(2-hydroxyethoxy)-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-2-ol
CID 2006806
3-(2-Hydroxyethoxy)-1-(5-methyl(1,3,4-thiadiazol-2-yl)thio)propan-2-ol
CID 3795516

Frequently Asked Questions

What is the IUPAC name of 1-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]butan-2-ol?
The IUPAC name of 1-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]butan-2-ol (CID 22367316) is 1-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]butan-2-ol.
What is the SMILES notation for 1-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]butan-2-ol?
The canonical SMILES for 1-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]butan-2-ol is CCC(O)CSc1nnc(C)s1.
What is the InChIKey of 1-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]butan-2-ol?
The InChIKey is OXXXDNVNQFPFDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2OS2/c1-3-6(10)4-11-7-9-8-5(2)12-7/h6,10H,3-4H2,1-2H3.
What are the key properties of 1-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]butan-2-ol?
1-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]butan-2-ol has a molecular weight of 204.32 g/mol, XLogP of 1.71, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]butan-2-ol is sourced from PubChem (CID 22367316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).