(4-tert-butylthiadiazol-5-yl)-(4-chloro-2-fluorophenyl)methanol

C13H14ClFN2OS — CID 105119916

IUPAC(4-tert-butylthiadiazol-5-yl)-(4-chloro-2-fluorophenyl)methanol
SMILESCC(C)(C)c1nnsc1C(O)c1ccc(Cl)cc1F
InChIInChI=1S/C13H14ClFN2OS/c1-13(2,3)12-11(19-17-16-12)10(18)8-5-4-7(14)6-9(8)15/h4-6,10,18H,1-3H3
InChIKeyMLZIVWPABWYFMW-UHFFFAOYSA-N
MW300.79 g/mol
LogP3.71
Rot. Bonds2

About (4-tert-butylthiadiazol-5-yl)-(4-chloro-2-fluorophenyl)methanol

(4-tert-butylthiadiazol-5-yl)-(4-chloro-2-fluorophenyl)methanol (PubChem CID 105119916) has the molecular formula C13H14ClFN2OS and a molecular weight of 300.79 g/mol. Its IUPAC name is (4-tert-butylthiadiazol-5-yl)-(4-chloro-2-fluorophenyl)methanol.

Molecular Properties

Compound Name(4-tert-butylthiadiazol-5-yl)-(4-chloro-2-fluorophenyl)methanol
PubChem CID105119916
Molecular FormulaC13H14ClFN2OS
Molecular Weight300.79 g/mol
Exact Mass300.05
IUPAC Name(4-tert-butylthiadiazol-5-yl)-(4-chloro-2-fluorophenyl)methanol
SMILESCC(C)(C)c1nnsc1C(O)c1ccc(Cl)cc1F
InChIInChI=1S/C13H14ClFN2OS/c1-13(2,3)12-11(19-17-16-12)10(18)8-5-4-7(14)6-9(8)15/h4-6,10,18H,1-3H3
InChIKeyMLZIVWPABWYFMW-UHFFFAOYSA-N
XLogP3.71
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.79
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4-tert-butylthiadiazol-5-yl)-(2-fluoro-4-methoxyphenyl)methanol
CID 103397508
(4-tert-butylthiadiazol-5-yl)-(3,4-dichlorophenyl)methanol
CID 105133332
1-(4-tert-butylthiadiazol-5-yl)-2-(2,4-dichlorophenyl)ethanol
CID 105086800
(4-tert-butylthiadiazol-5-yl)-[4-(trifluoromethyl)-3-pyridinyl]methanol
CID 102710195
1-(4-tert-butylthiadiazol-5-yl)-2-(2,5-difluorophenyl)ethanol
CID 105081122
(4-chloro-2-fluorophenyl)-(3-chlorothiophen-2-yl)methanol
CID 80530486
(4-tert-butylthiadiazol-5-yl)-(4-methylphenyl)methanol
CID 105078251
(4-tert-butylthiadiazol-5-yl)-[4-(trifluoromethyl)phenyl]methanol
CID 105093741
(4-tert-butylthiadiazol-5-yl)-[3-(trifluoromethyl)phenyl]methanol
CID 105092738
1-(4-chloro-2-fluorophenyl)-3,3-dimethylbutane-1,2-diol
CID 103457370
(4-tert-butylthiadiazol-5-yl)-(5-chloro-1-benzofuran-2-yl)methanamine
CID 105185628
3-(4-chloro-2-fluorophenyl)-3-hydroxy-2,2-dimethylpropanenitrile
CID 114867065

Frequently Asked Questions

What is the IUPAC name of (4-tert-butylthiadiazol-5-yl)-(4-chloro-2-fluorophenyl)methanol?
The IUPAC name of (4-tert-butylthiadiazol-5-yl)-(4-chloro-2-fluorophenyl)methanol (CID 105119916) is (4-tert-butylthiadiazol-5-yl)-(4-chloro-2-fluorophenyl)methanol.
What is the SMILES notation for (4-tert-butylthiadiazol-5-yl)-(4-chloro-2-fluorophenyl)methanol?
The canonical SMILES for (4-tert-butylthiadiazol-5-yl)-(4-chloro-2-fluorophenyl)methanol is CC(C)(C)c1nnsc1C(O)c1ccc(Cl)cc1F.
What is the InChIKey of (4-tert-butylthiadiazol-5-yl)-(4-chloro-2-fluorophenyl)methanol?
The InChIKey is MLZIVWPABWYFMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClFN2OS/c1-13(2,3)12-11(19-17-16-12)10(18)8-5-4-7(14)6-9(8)15/h4-6,10,18H,1-3H3.
What are the key properties of (4-tert-butylthiadiazol-5-yl)-(4-chloro-2-fluorophenyl)methanol?
(4-tert-butylthiadiazol-5-yl)-(4-chloro-2-fluorophenyl)methanol has a molecular weight of 300.79 g/mol, XLogP of 3.71, 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-chloro-2-fluorophenyl)methanol is sourced from PubChem (CID 105119916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).