1-(4-tert-butylthiadiazol-5-yl)-2-(2,5-difluorophenyl)ethanol

C14H16F2N2OS — CID 105081122

IUPAC1-(4-tert-butylthiadiazol-5-yl)-2-(2,5-difluorophenyl)ethanol
SMILESCC(C)(C)c1nnsc1C(O)Cc1cc(F)ccc1F
InChIInChI=1S/C14H16F2N2OS/c1-14(2,3)13-12(20-18-17-13)11(19)7-8-6-9(15)4-5-10(8)16/h4-6,11,19H,7H2,1-3H3
InChIKeyDPYBLSBQPRKPAF-UHFFFAOYSA-N
MW298.36 g/mol
LogP3.39
Rot. Bonds3

About 1-(4-tert-butylthiadiazol-5-yl)-2-(2,5-difluorophenyl)ethanol

1-(4-tert-butylthiadiazol-5-yl)-2-(2,5-difluorophenyl)ethanol (PubChem CID 105081122) has the molecular formula C14H16F2N2OS and a molecular weight of 298.36 g/mol. Its IUPAC name is 1-(4-tert-butylthiadiazol-5-yl)-2-(2,5-difluorophenyl)ethanol.

Molecular Properties

Compound Name1-(4-tert-butylthiadiazol-5-yl)-2-(2,5-difluorophenyl)ethanol
PubChem CID105081122
Molecular FormulaC14H16F2N2OS
Molecular Weight298.36 g/mol
Exact Mass298.10
IUPAC Name1-(4-tert-butylthiadiazol-5-yl)-2-(2,5-difluorophenyl)ethanol
SMILESCC(C)(C)c1nnsc1C(O)Cc1cc(F)ccc1F
InChIInChI=1S/C14H16F2N2OS/c1-14(2,3)13-12(20-18-17-13)11(19)7-8-6-9(15)4-5-10(8)16/h4-6,11,19H,7H2,1-3H3
InChIKeyDPYBLSBQPRKPAF-UHFFFAOYSA-N
XLogP3.39
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.36
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-tert-butylthiadiazol-5-yl)-2-(2,4-dichlorophenyl)ethanol
CID 105086800
1-(4-tert-butylthiadiazol-5-yl)-2-(2-methylphenyl)ethanol
CID 105078113
1-(4-tert-butylthiadiazol-5-yl)-2-(2,4-difluorophenyl)ethanamine
CID 105117237
2-(3-bromo-2,6-difluorophenyl)-1-(4-tert-butylthiadiazol-5-yl)ethanol
CID 106274403
[1-(4-tert-butylthiadiazol-5-yl)-2-(4-fluoro-2-methylphenyl)ethyl]hydrazine
CID 105340927
[1-(4-tert-butylthiadiazol-5-yl)-2-(2-chloro-4-fluorophenyl)ethyl]hydrazine
CID 105295283
(4-tert-butylthiadiazol-5-yl)-(4-chloro-2-fluorophenyl)methanol
CID 105119916
2-(2,5-difluorophenyl)-1-(3-ethylthiophen-2-yl)ethanol
CID 114982148
1-(2,5-difluorophenyl)-3-methylbutane-2,3-diol
CID 103448861
2-(2-bromo-5-fluorophenyl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanol
CID 105088383
1-(4-tert-butylthiadiazol-5-yl)-2-(3-methoxyphenyl)ethanol
CID 105087087
1-(3-chlorothiophen-2-yl)-2-(2,5-difluorophenyl)ethanol
CID 114982062

Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butylthiadiazol-5-yl)-2-(2,5-difluorophenyl)ethanol?
The IUPAC name of 1-(4-tert-butylthiadiazol-5-yl)-2-(2,5-difluorophenyl)ethanol (CID 105081122) is 1-(4-tert-butylthiadiazol-5-yl)-2-(2,5-difluorophenyl)ethanol.
What is the SMILES notation for 1-(4-tert-butylthiadiazol-5-yl)-2-(2,5-difluorophenyl)ethanol?
The canonical SMILES for 1-(4-tert-butylthiadiazol-5-yl)-2-(2,5-difluorophenyl)ethanol is CC(C)(C)c1nnsc1C(O)Cc1cc(F)ccc1F.
What is the InChIKey of 1-(4-tert-butylthiadiazol-5-yl)-2-(2,5-difluorophenyl)ethanol?
The InChIKey is DPYBLSBQPRKPAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F2N2OS/c1-14(2,3)13-12(20-18-17-13)11(19)7-8-6-9(15)4-5-10(8)16/h4-6,11,19H,7H2,1-3H3.
What are the key properties of 1-(4-tert-butylthiadiazol-5-yl)-2-(2,5-difluorophenyl)ethanol?
1-(4-tert-butylthiadiazol-5-yl)-2-(2,5-difluorophenyl)ethanol has a molecular weight of 298.36 g/mol, XLogP of 3.39, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butylthiadiazol-5-yl)-2-(2,5-difluorophenyl)ethanol is sourced from PubChem (CID 105081122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).