2-(5-phenylthiadiazol-4-yl)propan-2-ol

C11H12N2OS — CID 13494833

IUPAC2-(5-phenylthiadiazol-4-yl)propan-2-ol
SMILESCC(C)(O)c1nnsc1-c1ccccc1
InChIInChI=1S/C11H12N2OS/c1-11(2,14)10-9(15-13-12-10)8-6-4-3-5-7-8/h3-7,14H,1-2H3
InChIKeyCDZPISJRKTWUSV-UHFFFAOYSA-N
MW220.30 g/mol
LogP2.43
Rot. Bonds2

About 2-(5-phenylthiadiazol-4-yl)propan-2-ol

2-(5-phenylthiadiazol-4-yl)propan-2-ol (PubChem CID 13494833) has the molecular formula C11H12N2OS and a molecular weight of 220.30 g/mol. Its IUPAC name is 2-(5-phenylthiadiazol-4-yl)propan-2-ol.

Molecular Properties

Compound Name2-(5-phenylthiadiazol-4-yl)propan-2-ol
PubChem CID13494833
Molecular FormulaC11H12N2OS
Molecular Weight220.30 g/mol
Exact Mass220.07
IUPAC Name2-(5-phenylthiadiazol-4-yl)propan-2-ol
SMILESCC(C)(O)c1nnsc1-c1ccccc1
InChIInChI=1S/C11H12N2OS/c1-11(2,14)10-9(15-13-12-10)8-6-4-3-5-7-8/h3-7,14H,1-2H3
InChIKeyCDZPISJRKTWUSV-UHFFFAOYSA-N
XLogP2.43
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.30
LogP ≤ 52.43
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
1-(5-Phenylthiadiazol-4-yl)cyclohexan-1-ol
CID 13494835
Phenyl-(5-phenylthiadiazol-4-yl)methanol
CID 13494837
1-(5-Phenylthiadiazol-4-yl)butan-1-ol
CID 13494838
2-(4-Fluorophenyl)-1-(4-methylthiadiazol-5-yl)ethanol
CID 105076984
1-(4-Ethylthiadiazol-5-yl)-2-(4-fluorophenyl)ethanol
CID 105077031
1-(4-Tert-butylthiadiazol-5-yl)-2-(4-fluorophenyl)ethanol
CID 105077051
2-(4-Fluorophenyl)-1-(4-propylthiadiazol-5-yl)ethanol
CID 105077053
(4-Fluorophenyl)-(4-methylthiadiazol-5-yl)methanol
CID 105077228
(4-Fluorophenyl)-(4-propan-2-ylthiadiazol-5-yl)methanol
CID 105077262

Frequently Asked Questions

What is the IUPAC name of 2-(5-phenylthiadiazol-4-yl)propan-2-ol?
The IUPAC name of 2-(5-phenylthiadiazol-4-yl)propan-2-ol (CID 13494833) is 2-(5-phenylthiadiazol-4-yl)propan-2-ol.
What is the SMILES notation for 2-(5-phenylthiadiazol-4-yl)propan-2-ol?
The canonical SMILES for 2-(5-phenylthiadiazol-4-yl)propan-2-ol is CC(C)(O)c1nnsc1-c1ccccc1.
What is the InChIKey of 2-(5-phenylthiadiazol-4-yl)propan-2-ol?
The InChIKey is CDZPISJRKTWUSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2OS/c1-11(2,14)10-9(15-13-12-10)8-6-4-3-5-7-8/h3-7,14H,1-2H3.
What are the key properties of 2-(5-phenylthiadiazol-4-yl)propan-2-ol?
2-(5-phenylthiadiazol-4-yl)propan-2-ol has a molecular weight of 220.30 g/mol, XLogP of 2.43, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-phenylthiadiazol-4-yl)propan-2-ol is sourced from PubChem (CID 13494833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).