(4-tert-butylthiadiazol-5-yl)-(2-fluoro-4-methoxyphenyl)methanol

C14H17FN2O2S — CID 103397508

IUPAC(4-tert-butylthiadiazol-5-yl)-(2-fluoro-4-methoxyphenyl)methanol
SMILESCOc1ccc(C(O)c2snnc2C(C)(C)C)c(F)c1
InChIInChI=1S/C14H17FN2O2S/c1-14(2,3)13-12(20-17-16-13)11(18)9-6-5-8(19-4)7-10(9)15/h5-7,11,18H,1-4H3
InChIKeyBDNYBCRWJUHCCU-UHFFFAOYSA-N
MW296.37 g/mol
LogP3.07
Rot. Bonds3

About (4-tert-butylthiadiazol-5-yl)-(2-fluoro-4-methoxyphenyl)methanol

(4-tert-butylthiadiazol-5-yl)-(2-fluoro-4-methoxyphenyl)methanol (PubChem CID 103397508) has the molecular formula C14H17FN2O2S and a molecular weight of 296.37 g/mol. Its IUPAC name is (4-tert-butylthiadiazol-5-yl)-(2-fluoro-4-methoxyphenyl)methanol.

Molecular Properties

Compound Name(4-tert-butylthiadiazol-5-yl)-(2-fluoro-4-methoxyphenyl)methanol
PubChem CID103397508
Molecular FormulaC14H17FN2O2S
Molecular Weight296.37 g/mol
Exact Mass296.10
IUPAC Name(4-tert-butylthiadiazol-5-yl)-(2-fluoro-4-methoxyphenyl)methanol
SMILESCOc1ccc(C(O)c2snnc2C(C)(C)C)c(F)c1
InChIInChI=1S/C14H17FN2O2S/c1-14(2,3)13-12(20-17-16-13)11(18)9-6-5-8(19-4)7-10(9)15/h5-7,11,18H,1-4H3
InChIKeyBDNYBCRWJUHCCU-UHFFFAOYSA-N
XLogP3.07
TPSA55.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(4-tert-butylthiadiazol-5-yl)-(4-chloro-2-fluorophenyl)methanol
CID 105119916
(4-tert-butylthiadiazol-5-yl)-(3-methoxyphenyl)methanol
CID 105076907
bis(2-fluoro-4-methoxyphenyl)methanol
CID 102884350
(4-tert-butylthiadiazol-5-yl)-(2,4-dimethoxyphenyl)methanamine
CID 105145080
1-(4-tert-butylthiadiazol-5-yl)-2-(3-methoxyphenyl)ethanol
CID 105087087
1-(4-tert-butylthiadiazol-5-yl)-3-(4-methoxyphenyl)propan-1-ol
CID 105101479
(3,5-difluorophenyl)-(2-fluoro-4-methoxyphenyl)methanol
CID 61083265
(2-fluoro-4-methoxyphenyl)-thiophen-3-ylmethanol
CID 61082292
(4-methoxy-2-methylphenyl)-(4-propan-2-ylthiadiazol-5-yl)methanol
CID 105082992
(2-fluoro-4-methoxyphenyl)-(2,3,5,6-tetramethylphenyl)methanol
CID 102884337
(2,4-dimethylphenyl)-(2-fluoro-4-methoxyphenyl)methanol
CID 61080731
(2-fluoro-4-methoxyphenyl)-pyridazin-4-ylmethanol
CID 103397496

Frequently Asked Questions

What is the IUPAC name of (4-tert-butylthiadiazol-5-yl)-(2-fluoro-4-methoxyphenyl)methanol?
The IUPAC name of (4-tert-butylthiadiazol-5-yl)-(2-fluoro-4-methoxyphenyl)methanol (CID 103397508) is (4-tert-butylthiadiazol-5-yl)-(2-fluoro-4-methoxyphenyl)methanol.
What is the SMILES notation for (4-tert-butylthiadiazol-5-yl)-(2-fluoro-4-methoxyphenyl)methanol?
The canonical SMILES for (4-tert-butylthiadiazol-5-yl)-(2-fluoro-4-methoxyphenyl)methanol is COc1ccc(C(O)c2snnc2C(C)(C)C)c(F)c1.
What is the InChIKey of (4-tert-butylthiadiazol-5-yl)-(2-fluoro-4-methoxyphenyl)methanol?
The InChIKey is BDNYBCRWJUHCCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2O2S/c1-14(2,3)13-12(20-17-16-13)11(18)9-6-5-8(19-4)7-10(9)15/h5-7,11,18H,1-4H3.
What are the key properties of (4-tert-butylthiadiazol-5-yl)-(2-fluoro-4-methoxyphenyl)methanol?
(4-tert-butylthiadiazol-5-yl)-(2-fluoro-4-methoxyphenyl)methanol has a molecular weight of 296.37 g/mol, XLogP of 3.07, 3 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)-(2-fluoro-4-methoxyphenyl)methanol is sourced from PubChem (CID 103397508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).