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

C7H12N2OS2 — CID 60875814

IUPAC4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]butan-1-ol
SMILESCc1nnc(SCCCCO)s1
InChIInChI=1S/C7H12N2OS2/c1-6-8-9-7(12-6)11-5-3-2-4-10/h10H,2-5H2,1H3
InChIKeyNXODADTUNIBGCA-UHFFFAOYSA-N
MW204.32 g/mol
LogP1.71
Rot. Bonds5

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

4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]butan-1-ol (PubChem CID 60875814) has the molecular formula C7H12N2OS2 and a molecular weight of 204.32 g/mol. Its IUPAC name is 4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]butan-1-ol.

Molecular Properties

Compound Name4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]butan-1-ol
PubChem CID60875814
Molecular FormulaC7H12N2OS2
Molecular Weight204.32 g/mol
Exact Mass204.04
IUPAC Name4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]butan-1-ol
SMILESCc1nnc(SCCCCO)s1
InChIInChI=1S/C7H12N2OS2/c1-6-8-9-7(12-6)11-5-3-2-4-10/h10H,2-5H2,1H3
InChIKeyNXODADTUNIBGCA-UHFFFAOYSA-N
XLogP1.71
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
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

Computed Properties (RDKit)

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

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Related Compounds

2-[(5-Methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanol
CID 53520682
3-[[5-(Trifluoromethyl)-1,3,4-thiadiazol-2-yl]sulfanyl]butan-2-ol
CID 104985835
2-Methyl-3-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]sulfanyl]propan-1-ol
CID 114449823
3-[[5-(Trifluoromethyl)-1,3,4-thiadiazol-2-yl]sulfanyl]butan-1-ol
CID 114449824
3-[[5-(Trifluoromethyl)-1,3,4-thiadiazol-2-yl]sulfanyl]propan-1-ol
CID 114449825
2-[[5-(Trifluoromethyl)-1,3,4-thiadiazol-2-yl]sulfanyl]propan-1-ol
CID 114449829
(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]butan-2-ol
CID 22367316
3-(5-Ethyl-1,3,4-thiadiazol-2-yl)propan-1-ol
CID 54362343
3-(5-Methyl-1,3,4-thiadiazol-2-yl)propan-1-ol
CID 59207393

Frequently Asked Questions

What is the IUPAC name of 4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]butan-1-ol?
The IUPAC name of 4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]butan-1-ol (CID 60875814) is 4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]butan-1-ol.
What is the SMILES notation for 4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]butan-1-ol?
The canonical SMILES for 4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]butan-1-ol is Cc1nnc(SCCCCO)s1.
What is the InChIKey of 4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]butan-1-ol?
The InChIKey is NXODADTUNIBGCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2OS2/c1-6-8-9-7(12-6)11-5-3-2-4-10/h10H,2-5H2,1H3.
What are the key properties of 4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]butan-1-ol?
4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]butan-1-ol has a molecular weight of 204.32 g/mol, XLogP of 1.71, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]butan-1-ol is sourced from PubChem (CID 60875814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).