(4-tert-butylthiadiazol-5-yl)-[4-(trifluoromethyl)phenyl]methanol

C14H15F3N2OS — CID 105093741

IUPAC(4-tert-butylthiadiazol-5-yl)-[4-(trifluoromethyl)phenyl]methanol
SMILESCC(C)(C)c1nnsc1C(O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C14H15F3N2OS/c1-13(2,3)12-11(21-19-18-12)10(20)8-4-6-9(7-5-8)14(15,16)17/h4-7,10,20H,1-3H3
InChIKeyUYMPZLUDLODRMO-UHFFFAOYSA-N
MW316.35 g/mol
LogP3.94
Rot. Bonds2

About (4-tert-butylthiadiazol-5-yl)-[4-(trifluoromethyl)phenyl]methanol

(4-tert-butylthiadiazol-5-yl)-[4-(trifluoromethyl)phenyl]methanol (PubChem CID 105093741) has the molecular formula C14H15F3N2OS and a molecular weight of 316.35 g/mol. Its IUPAC name is (4-tert-butylthiadiazol-5-yl)-[4-(trifluoromethyl)phenyl]methanol.

Molecular Properties

Compound Name(4-tert-butylthiadiazol-5-yl)-[4-(trifluoromethyl)phenyl]methanol
PubChem CID105093741
Molecular FormulaC14H15F3N2OS
Molecular Weight316.35 g/mol
Exact Mass316.09
IUPAC Name(4-tert-butylthiadiazol-5-yl)-[4-(trifluoromethyl)phenyl]methanol
SMILESCC(C)(C)c1nnsc1C(O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C14H15F3N2OS/c1-13(2,3)12-11(21-19-18-12)10(20)8-4-6-9(7-5-8)14(15,16)17/h4-7,10,20H,1-3H3
InChIKeyUYMPZLUDLODRMO-UHFFFAOYSA-N
XLogP3.94
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.35
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4-tert-butylthiadiazol-5-yl)-[3-(trifluoromethyl)phenyl]methanol
CID 105092738
(4-tert-butylthiadiazol-5-yl)-(4-methylphenyl)methanol
CID 105078251
(4-tert-butylthiadiazol-5-yl)-(3,4-dichlorophenyl)methanol
CID 105133332
(4-tert-butylthiadiazol-5-yl)-[4-(trifluoromethyl)phenyl]methanone
CID 105095545
(4-tert-butylthiadiazol-5-yl)-(3-methoxyphenyl)methanol
CID 105076907
(S)-(4-methylphenyl)-[4-(trifluoromethyl)phenyl]methanol
CID 822066
(4-tert-butylthiadiazol-5-yl)-(2-fluoro-4-methoxyphenyl)methanol
CID 103397508
(4-tert-butylthiadiazol-5-yl)-(3,4-dimethoxyphenyl)methanamine
CID 105141183
(4-tert-butylthiadiazol-5-yl)-(cyclohexen-1-yl)methanol
CID 106657926
1-[bis(4-tert-butylphenyl)methyl]-4-(trifluoromethyl)benzene
CID 155096011
(4-bromophenyl)-[4-(trifluoromethyl)phenyl]methanol
CID 61100365
[3,5-di(propan-2-yl)phenyl]-[4-(trifluoromethyl)phenyl]methanol
CID 123699279

Frequently Asked Questions

What is the IUPAC name of (4-tert-butylthiadiazol-5-yl)-[4-(trifluoromethyl)phenyl]methanol?
The IUPAC name of (4-tert-butylthiadiazol-5-yl)-[4-(trifluoromethyl)phenyl]methanol (CID 105093741) is (4-tert-butylthiadiazol-5-yl)-[4-(trifluoromethyl)phenyl]methanol.
What is the SMILES notation for (4-tert-butylthiadiazol-5-yl)-[4-(trifluoromethyl)phenyl]methanol?
The canonical SMILES for (4-tert-butylthiadiazol-5-yl)-[4-(trifluoromethyl)phenyl]methanol is CC(C)(C)c1nnsc1C(O)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of (4-tert-butylthiadiazol-5-yl)-[4-(trifluoromethyl)phenyl]methanol?
The InChIKey is UYMPZLUDLODRMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F3N2OS/c1-13(2,3)12-11(21-19-18-12)10(20)8-4-6-9(7-5-8)14(15,16)17/h4-7,10,20H,1-3H3.
What are the key properties of (4-tert-butylthiadiazol-5-yl)-[4-(trifluoromethyl)phenyl]methanol?
(4-tert-butylthiadiazol-5-yl)-[4-(trifluoromethyl)phenyl]methanol has a molecular weight of 316.35 g/mol, XLogP of 3.94, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-tert-butylthiadiazol-5-yl)-[4-(trifluoromethyl)phenyl]methanol is sourced from PubChem (CID 105093741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).