(4-tert-butylthiadiazol-5-yl)-[4-(trifluoromethyl)-3-pyridinyl]methanol

C13H14F3N3OS — CID 102710195

IUPAC(4-tert-butylthiadiazol-5-yl)-[4-(trifluoromethyl)-3-pyridinyl]methanol
SMILESCC(C)(C)c1nnsc1C(O)c1cnccc1C(F)(F)F
InChIInChI=1S/C13H14F3N3OS/c1-12(2,3)11-10(21-19-18-11)9(20)7-6-17-5-4-8(7)13(14,15)16/h4-6,9,20H,1-3H3
InChIKeyGNGGNWDXUZYANX-UHFFFAOYSA-N
MW317.34 g/mol
LogP3.33
Rot. Bonds2

About (4-tert-butylthiadiazol-5-yl)-[4-(trifluoromethyl)-3-pyridinyl]methanol

(4-tert-butylthiadiazol-5-yl)-[4-(trifluoromethyl)-3-pyridinyl]methanol (PubChem CID 102710195) has the molecular formula C13H14F3N3OS and a molecular weight of 317.34 g/mol. Its IUPAC name is (4-tert-butylthiadiazol-5-yl)-[4-(trifluoromethyl)-3-pyridinyl]methanol.

Molecular Properties

Compound Name(4-tert-butylthiadiazol-5-yl)-[4-(trifluoromethyl)-3-pyridinyl]methanol
PubChem CID102710195
Molecular FormulaC13H14F3N3OS
Molecular Weight317.34 g/mol
Exact Mass317.08
IUPAC Name(4-tert-butylthiadiazol-5-yl)-[4-(trifluoromethyl)-3-pyridinyl]methanol
SMILESCC(C)(C)c1nnsc1C(O)c1cnccc1C(F)(F)F
InChIInChI=1S/C13H14F3N3OS/c1-12(2,3)11-10(21-19-18-11)9(20)7-6-17-5-4-8(7)13(14,15)16/h4-6,9,20H,1-3H3
InChIKeyGNGGNWDXUZYANX-UHFFFAOYSA-N
XLogP3.33
TPSA58.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.34
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[4-(trifluoromethyl)-3-pyridinyl]methanediol
CID 162592484
(4-tert-butylthiadiazol-5-yl)-[4-(trifluoromethyl)phenyl]methanol
CID 105093741
(4-tert-butylthiadiazol-5-yl)-(4-chloro-2-fluorophenyl)methanol
CID 105119916
(2,4-difluorophenyl)-[4-(trifluoromethyl)-3-pyridinyl]methanol
CID 102707286
[4-(trifluoromethyl)-3-pyridinyl]-(2,4,6-trimethylphenyl)methanol
CID 102707275
(4-tert-butylthiadiazol-5-yl)-[3-(trifluoromethyl)phenyl]methanol
CID 105092738
(4-propylthiadiazol-5-yl)-[4-(trifluoromethyl)-3-pyridinyl]methanamine
CID 102709870
[(4-ethylthiadiazol-5-yl)-[4-(trifluoromethyl)-3-pyridinyl]methyl]hydrazine
CID 102710567
4,4-dimethyl-1-[4-(trifluoromethyl)-3-pyridinyl]pentan-1-ol
CID 114211469
(2-bromophenyl)-[4-(trifluoromethyl)-3-pyridinyl]methanol
CID 102707279
(5-ethylfuran-2-yl)-[4-(trifluoromethyl)-3-pyridinyl]methanol
CID 102707294
(2-bromo-3,4-difluorophenyl)-[4-(trifluoromethyl)-3-pyridinyl]methanol
CID 107538556

Frequently Asked Questions

What is the IUPAC name of (4-tert-butylthiadiazol-5-yl)-[4-(trifluoromethyl)-3-pyridinyl]methanol?
The IUPAC name of (4-tert-butylthiadiazol-5-yl)-[4-(trifluoromethyl)-3-pyridinyl]methanol (CID 102710195) is (4-tert-butylthiadiazol-5-yl)-[4-(trifluoromethyl)-3-pyridinyl]methanol.
What is the SMILES notation for (4-tert-butylthiadiazol-5-yl)-[4-(trifluoromethyl)-3-pyridinyl]methanol?
The canonical SMILES for (4-tert-butylthiadiazol-5-yl)-[4-(trifluoromethyl)-3-pyridinyl]methanol is CC(C)(C)c1nnsc1C(O)c1cnccc1C(F)(F)F.
What is the InChIKey of (4-tert-butylthiadiazol-5-yl)-[4-(trifluoromethyl)-3-pyridinyl]methanol?
The InChIKey is GNGGNWDXUZYANX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F3N3OS/c1-12(2,3)11-10(21-19-18-11)9(20)7-6-17-5-4-8(7)13(14,15)16/h4-6,9,20H,1-3H3.
What are the key properties of (4-tert-butylthiadiazol-5-yl)-[4-(trifluoromethyl)-3-pyridinyl]methanol?
(4-tert-butylthiadiazol-5-yl)-[4-(trifluoromethyl)-3-pyridinyl]methanol has a molecular weight of 317.34 g/mol, XLogP of 3.33, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-tert-butylthiadiazol-5-yl)-[4-(trifluoromethyl)-3-pyridinyl]methanol is sourced from PubChem (CID 102710195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).