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

C12H13FN2OS — CID 105077262

IUPAC(4-fluorophenyl)-(4-propan-2-ylthiadiazol-5-yl)methanol
SMILESCC(C)c1nnsc1C(O)c1ccc(F)cc1
InChIInChI=1S/C12H13FN2OS/c1-7(2)10-12(17-15-14-10)11(16)8-3-5-9(13)6-4-8/h3-7,11,16H,1-2H3
InChIKeyOBKDPFVNVIJCIS-UHFFFAOYSA-N
MW252.31 g/mol
LogP2.88
Rot. Bonds3

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

(4-fluorophenyl)-(4-propan-2-ylthiadiazol-5-yl)methanol (PubChem CID 105077262) has the molecular formula C12H13FN2OS and a molecular weight of 252.31 g/mol. Its IUPAC name is (4-fluorophenyl)-(4-propan-2-ylthiadiazol-5-yl)methanol.

Molecular Properties

Compound Name(4-fluorophenyl)-(4-propan-2-ylthiadiazol-5-yl)methanol
PubChem CID105077262
Molecular FormulaC12H13FN2OS
Molecular Weight252.31 g/mol
Exact Mass252.07
IUPAC Name(4-fluorophenyl)-(4-propan-2-ylthiadiazol-5-yl)methanol
SMILESCC(C)c1nnsc1C(O)c1ccc(F)cc1
InChIInChI=1S/C12H13FN2OS/c1-7(2)10-12(17-15-14-10)11(16)8-3-5-9(13)6-4-8/h3-7,11,16H,1-2H3
InChIKeyOBKDPFVNVIJCIS-UHFFFAOYSA-N
XLogP2.88
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 52.88
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
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
[2-Methyl-4-(trifluoromethyl)phenyl]-(4-propan-2-ylthiadiazol-5-yl)methanol
CID 102759173

Frequently Asked Questions

What is the IUPAC name of (4-fluorophenyl)-(4-propan-2-ylthiadiazol-5-yl)methanol?
The IUPAC name of (4-fluorophenyl)-(4-propan-2-ylthiadiazol-5-yl)methanol (CID 105077262) is (4-fluorophenyl)-(4-propan-2-ylthiadiazol-5-yl)methanol.
What is the SMILES notation for (4-fluorophenyl)-(4-propan-2-ylthiadiazol-5-yl)methanol?
The canonical SMILES for (4-fluorophenyl)-(4-propan-2-ylthiadiazol-5-yl)methanol is CC(C)c1nnsc1C(O)c1ccc(F)cc1.
What is the InChIKey of (4-fluorophenyl)-(4-propan-2-ylthiadiazol-5-yl)methanol?
The InChIKey is OBKDPFVNVIJCIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN2OS/c1-7(2)10-12(17-15-14-10)11(16)8-3-5-9(13)6-4-8/h3-7,11,16H,1-2H3.
What are the key properties of (4-fluorophenyl)-(4-propan-2-ylthiadiazol-5-yl)methanol?
(4-fluorophenyl)-(4-propan-2-ylthiadiazol-5-yl)methanol has a molecular weight of 252.31 g/mol, XLogP of 2.88, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorophenyl)-(4-propan-2-ylthiadiazol-5-yl)methanol is sourced from PubChem (CID 105077262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).