phenyl-(4-propan-2-ylthiadiazol-5-yl)methanol

C12H14N2OS — CID 105076371

IUPACphenyl-(4-propan-2-ylthiadiazol-5-yl)methanol
SMILESCC(C)c1nnsc1C(O)c1ccccc1
InChIInChI=1S/C12H14N2OS/c1-8(2)10-12(16-14-13-10)11(15)9-6-4-3-5-7-9/h3-8,11,15H,1-2H3
InChIKeyKRDVNPJIPLMSHJ-UHFFFAOYSA-N
MW234.32 g/mol
LogP2.74
Rot. Bonds3

About phenyl-(4-propan-2-ylthiadiazol-5-yl)methanol

phenyl-(4-propan-2-ylthiadiazol-5-yl)methanol (PubChem CID 105076371) has the molecular formula C12H14N2OS and a molecular weight of 234.32 g/mol. Its IUPAC name is phenyl-(4-propan-2-ylthiadiazol-5-yl)methanol.

Molecular Properties

Compound Namephenyl-(4-propan-2-ylthiadiazol-5-yl)methanol
PubChem CID105076371
Molecular FormulaC12H14N2OS
Molecular Weight234.32 g/mol
Exact Mass234.08
IUPAC Namephenyl-(4-propan-2-ylthiadiazol-5-yl)methanol
SMILESCC(C)c1nnsc1C(O)c1ccccc1
InChIInChI=1S/C12H14N2OS/c1-8(2)10-12(16-14-13-10)11(15)9-6-4-3-5-7-9/h3-8,11,15H,1-2H3
InChIKeyKRDVNPJIPLMSHJ-UHFFFAOYSA-N
XLogP2.74
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.32
LogP ≤ 52.74
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
1-(5-Phenylthiadiazol-4-yl)butan-1-ol
CID 13494838
2-(2-Chloro-5-fluorophenyl)-1-(4-ethylthiadiazol-5-yl)ethanol
CID 102623087
2-(2-Chloro-5-fluorophenyl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanol
CID 102623131
1-(4-Tert-butylthiadiazol-5-yl)-2-(2-chloro-5-fluorophenyl)ethanol
CID 102623155
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

Frequently Asked Questions

What is the IUPAC name of phenyl-(4-propan-2-ylthiadiazol-5-yl)methanol?
The IUPAC name of phenyl-(4-propan-2-ylthiadiazol-5-yl)methanol (CID 105076371) is phenyl-(4-propan-2-ylthiadiazol-5-yl)methanol.
What is the SMILES notation for phenyl-(4-propan-2-ylthiadiazol-5-yl)methanol?
The canonical SMILES for phenyl-(4-propan-2-ylthiadiazol-5-yl)methanol is CC(C)c1nnsc1C(O)c1ccccc1.
What is the InChIKey of phenyl-(4-propan-2-ylthiadiazol-5-yl)methanol?
The InChIKey is KRDVNPJIPLMSHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2OS/c1-8(2)10-12(16-14-13-10)11(15)9-6-4-3-5-7-9/h3-8,11,15H,1-2H3.
What are the key properties of phenyl-(4-propan-2-ylthiadiazol-5-yl)methanol?
phenyl-(4-propan-2-ylthiadiazol-5-yl)methanol has a molecular weight of 234.32 g/mol, XLogP of 2.74, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl-(4-propan-2-ylthiadiazol-5-yl)methanol is sourced from PubChem (CID 105076371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).