2-(3-bromo-2,6-difluorophenyl)-1-(4-tert-butylthiadiazol-5-yl)ethanol

C14H15BrF2N2OS — CID 106274403

IUPAC2-(3-bromo-2,6-difluorophenyl)-1-(4-tert-butylthiadiazol-5-yl)ethanol
SMILESCC(C)(C)c1nnsc1C(O)Cc1c(F)ccc(Br)c1F
InChIInChI=1S/C14H15BrF2N2OS/c1-14(2,3)13-12(21-19-18-13)10(20)6-7-9(16)5-4-8(15)11(7)17/h4-5,10,20H,6H2,1-3H3
InChIKeyUWLBTISTWILGGU-UHFFFAOYSA-N
MW377.25 g/mol
LogP4.15
Rot. Bonds3

About 2-(3-bromo-2,6-difluorophenyl)-1-(4-tert-butylthiadiazol-5-yl)ethanol

2-(3-bromo-2,6-difluorophenyl)-1-(4-tert-butylthiadiazol-5-yl)ethanol (PubChem CID 106274403) has the molecular formula C14H15BrF2N2OS and a molecular weight of 377.25 g/mol. Its IUPAC name is 2-(3-bromo-2,6-difluorophenyl)-1-(4-tert-butylthiadiazol-5-yl)ethanol.

Molecular Properties

Compound Name2-(3-bromo-2,6-difluorophenyl)-1-(4-tert-butylthiadiazol-5-yl)ethanol
PubChem CID106274403
Molecular FormulaC14H15BrF2N2OS
Molecular Weight377.25 g/mol
Exact Mass376.01
IUPAC Name2-(3-bromo-2,6-difluorophenyl)-1-(4-tert-butylthiadiazol-5-yl)ethanol
SMILESCC(C)(C)c1nnsc1C(O)Cc1c(F)ccc(Br)c1F
InChIInChI=1S/C14H15BrF2N2OS/c1-14(2,3)13-12(21-19-18-13)10(20)6-7-9(16)5-4-8(15)11(7)17/h4-5,10,20H,6H2,1-3H3
InChIKeyUWLBTISTWILGGU-UHFFFAOYSA-N
XLogP4.15
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.25
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

2-(3-bromo-2,6-difluorophenyl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanol
CID 106274492
1-(4-tert-butylthiadiazol-5-yl)-2-(2,5-difluorophenyl)ethanol
CID 105081122
2-(3-bromo-2,6-difluorophenyl)-1-(3-ethylthiophen-2-yl)ethanol
CID 106274378
1-(4-tert-butylthiadiazol-5-yl)-2-(2,4-dichlorophenyl)ethanol
CID 105086800
[1-(4-tert-butylthiadiazol-5-yl)-2-(2,6-difluorophenyl)ethyl]hydrazine
CID 105342938
1-(4-tert-butylthiadiazol-5-yl)-2-(2-methylphenyl)ethanol
CID 105078113
(3-bromo-2,6-difluorophenyl)-(4-tert-butylthiadiazol-5-yl)methanone
CID 106944355
1-(4-tert-butylthiadiazol-5-yl)-3-ethylpentan-1-ol
CID 105122577
2-(3-bromo-2,6-difluorophenyl)-1-(3,4-dibromophenyl)ethanol
CID 106265752
(3-bromo-2-fluorophenyl)-(4-tert-butylthiadiazol-5-yl)methanamine
CID 106647587
2-(3-bromo-2,6-difluorophenyl)-1-(2-methylpyrazol-3-yl)ethanol
CID 114165938
6-(3-bromo-2,6-difluorophenyl)-2,2-dimethylhexan-3-ol
CID 106273091

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-2,6-difluorophenyl)-1-(4-tert-butylthiadiazol-5-yl)ethanol?
The IUPAC name of 2-(3-bromo-2,6-difluorophenyl)-1-(4-tert-butylthiadiazol-5-yl)ethanol (CID 106274403) is 2-(3-bromo-2,6-difluorophenyl)-1-(4-tert-butylthiadiazol-5-yl)ethanol.
What is the SMILES notation for 2-(3-bromo-2,6-difluorophenyl)-1-(4-tert-butylthiadiazol-5-yl)ethanol?
The canonical SMILES for 2-(3-bromo-2,6-difluorophenyl)-1-(4-tert-butylthiadiazol-5-yl)ethanol is CC(C)(C)c1nnsc1C(O)Cc1c(F)ccc(Br)c1F.
What is the InChIKey of 2-(3-bromo-2,6-difluorophenyl)-1-(4-tert-butylthiadiazol-5-yl)ethanol?
The InChIKey is UWLBTISTWILGGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrF2N2OS/c1-14(2,3)13-12(21-19-18-13)10(20)6-7-9(16)5-4-8(15)11(7)17/h4-5,10,20H,6H2,1-3H3.
What are the key properties of 2-(3-bromo-2,6-difluorophenyl)-1-(4-tert-butylthiadiazol-5-yl)ethanol?
2-(3-bromo-2,6-difluorophenyl)-1-(4-tert-butylthiadiazol-5-yl)ethanol has a molecular weight of 377.25 g/mol, XLogP of 4.15, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-2,6-difluorophenyl)-1-(4-tert-butylthiadiazol-5-yl)ethanol is sourced from PubChem (CID 106274403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).