1-(5-phenylthiadiazol-4-yl)butan-1-ol

C12H14N2OS — CID 13494838

IUPAC1-(5-phenylthiadiazol-4-yl)butan-1-ol
SMILESCCCC(O)c1nnsc1-c1ccccc1
InChIInChI=1S/C12H14N2OS/c1-2-6-10(15)11-12(16-14-13-11)9-7-4-3-5-8-9/h3-5,7-8,10,15H,2,6H2,1H3
InChIKeyDQTXBVBLRCZBSQ-UHFFFAOYSA-N
MW234.32 g/mol
LogP3.04
Rot. Bonds4

About 1-(5-phenylthiadiazol-4-yl)butan-1-ol

1-(5-phenylthiadiazol-4-yl)butan-1-ol (PubChem CID 13494838) has the molecular formula C12H14N2OS and a molecular weight of 234.32 g/mol. Its IUPAC name is 1-(5-phenylthiadiazol-4-yl)butan-1-ol.

Molecular Properties

Compound Name1-(5-phenylthiadiazol-4-yl)butan-1-ol
PubChem CID13494838
Molecular FormulaC12H14N2OS
Molecular Weight234.32 g/mol
Exact Mass234.08
IUPAC Name1-(5-phenylthiadiazol-4-yl)butan-1-ol
SMILESCCCC(O)c1nnsc1-c1ccccc1
InChIInChI=1S/C12H14N2OS/c1-2-6-10(15)11-12(16-14-13-11)9-7-4-3-5-8-9/h3-5,7-8,10,15H,2,6H2,1H3
InChIKeyDQTXBVBLRCZBSQ-UHFFFAOYSA-N
XLogP3.04
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.32
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[5-(4-Fluorophenyl)-1,2,3-thiadiazol-4-yl]methanol
CID 69206022
1-(4-Fluorophenyl)-2-methyl-1-(4-methylthiadiazol-5-yl)propan-1-ol
CID 174925088
(4-Phenyl-1,2,3-Thiadiazol-5-Yl)Methanol
CID 2776524
2-(5-Phenylthiadiazol-4-yl)propan-2-ol
CID 13494833
1-(5-Phenylthiadiazol-4-yl)cyclohexan-1-ol
CID 13494835
Phenyl-(5-phenylthiadiazol-4-yl)methanol
CID 13494837
2-(2-Chloro-5-fluorophenyl)-1-(4-ethylthiadiazol-5-yl)ethanol
CID 102623087
2-(2-Chloro-5-fluorophenyl)-1-(4-propylthiadiazol-5-yl)ethanol
CID 102623197
(4-Ethylthiadiazol-5-yl)-[2-methyl-4-(trifluoromethyl)phenyl]methanol
CID 102759066
[2-Methyl-4-(trifluoromethyl)phenyl]-(4-propan-2-ylthiadiazol-5-yl)methanol
CID 102759173
[2-Methyl-4-(trifluoromethyl)phenyl]-(4-propylthiadiazol-5-yl)methanol
CID 102759311
(4-Methylthiadiazol-5-yl)-[2-methyl-4-(trifluoromethyl)phenyl]methanol
CID 102759354

Frequently Asked Questions

What is the IUPAC name of 1-(5-phenylthiadiazol-4-yl)butan-1-ol?
The IUPAC name of 1-(5-phenylthiadiazol-4-yl)butan-1-ol (CID 13494838) is 1-(5-phenylthiadiazol-4-yl)butan-1-ol.
What is the SMILES notation for 1-(5-phenylthiadiazol-4-yl)butan-1-ol?
The canonical SMILES for 1-(5-phenylthiadiazol-4-yl)butan-1-ol is CCCC(O)c1nnsc1-c1ccccc1.
What is the InChIKey of 1-(5-phenylthiadiazol-4-yl)butan-1-ol?
The InChIKey is DQTXBVBLRCZBSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2OS/c1-2-6-10(15)11-12(16-14-13-11)9-7-4-3-5-8-9/h3-5,7-8,10,15H,2,6H2,1H3.
What are the key properties of 1-(5-phenylthiadiazol-4-yl)butan-1-ol?
1-(5-phenylthiadiazol-4-yl)butan-1-ol has a molecular weight of 234.32 g/mol, XLogP of 3.04, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-phenylthiadiazol-4-yl)butan-1-ol is sourced from PubChem (CID 13494838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).