(4-bromo-3-chloro-2-fluorophenyl)-(4-propan-2-ylthiadiazol-5-yl)methanol

C12H11BrClFN2OS — CID 106765130

IUPAC(4-bromo-3-chloro-2-fluorophenyl)-(4-propan-2-ylthiadiazol-5-yl)methanol
SMILESCC(C)c1nnsc1C(O)c1ccc(Br)c(Cl)c1F
InChIInChI=1S/C12H11BrClFN2OS/c1-5(2)10-12(19-17-16-10)11(18)6-3-4-7(13)8(14)9(6)15/h3-5,11,18H,1-2H3
InChIKeyONOXYIMYUJMECO-UHFFFAOYSA-N
MW365.66 g/mol
LogP4.30
Rot. Bonds3

About (4-bromo-3-chloro-2-fluorophenyl)-(4-propan-2-ylthiadiazol-5-yl)methanol

(4-bromo-3-chloro-2-fluorophenyl)-(4-propan-2-ylthiadiazol-5-yl)methanol (PubChem CID 106765130) has the molecular formula C12H11BrClFN2OS and a molecular weight of 365.66 g/mol. Its IUPAC name is (4-bromo-3-chloro-2-fluorophenyl)-(4-propan-2-ylthiadiazol-5-yl)methanol.

Molecular Properties

Compound Name(4-bromo-3-chloro-2-fluorophenyl)-(4-propan-2-ylthiadiazol-5-yl)methanol
PubChem CID106765130
Molecular FormulaC12H11BrClFN2OS
Molecular Weight365.66 g/mol
Exact Mass363.94
IUPAC Name(4-bromo-3-chloro-2-fluorophenyl)-(4-propan-2-ylthiadiazol-5-yl)methanol
SMILESCC(C)c1nnsc1C(O)c1ccc(Br)c(Cl)c1F
InChIInChI=1S/C12H11BrClFN2OS/c1-5(2)10-12(19-17-16-10)11(18)6-3-4-7(13)8(14)9(6)15/h3-5,11,18H,1-2H3
InChIKeyONOXYIMYUJMECO-UHFFFAOYSA-N
XLogP4.30
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.66
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

(2-fluoro-3-methoxyphenyl)-(4-propan-2-ylthiadiazol-5-yl)methanol
CID 105120967
1-(4-bromo-3-chloro-2-fluorophenyl)-2-cyclopropylpropan-1-ol
CID 106765072
2-(3-bromo-2,6-difluorophenyl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanol
CID 106274492
2-(2-bromo-5-fluorophenyl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanol
CID 105088383
(4-bromo-3-chloro-2-fluorophenyl)-(4-methylphenyl)methanol
CID 106761323
(4-bromo-3-chloro-2-fluorophenyl)-(3,5-dimethyl-2-pyridinyl)methanol
CID 106762147
(4-bromo-3-chloro-2-fluorophenyl)-(2-bromo-5-fluorophenyl)methanol
CID 106765137
(4-bromo-3-chloro-2-fluorophenyl)-(4-bromo-2-fluorophenyl)methanol
CID 106761336
(4-methoxy-2-methylphenyl)-(4-propan-2-ylthiadiazol-5-yl)methanol
CID 105082992
(4-bromo-3-chloro-2-fluorophenyl)-cyclopropylmethanol
CID 106761352
(4-bromo-3-chloro-2-fluorophenyl)-(2-bromofuran-3-yl)methanol
CID 106859646
(4-bromo-3-chloro-2-fluorophenyl)-(2-bromo-5-methoxyphenyl)methanol
CID 106765154

Frequently Asked Questions

What is the IUPAC name of (4-bromo-3-chloro-2-fluorophenyl)-(4-propan-2-ylthiadiazol-5-yl)methanol?
The IUPAC name of (4-bromo-3-chloro-2-fluorophenyl)-(4-propan-2-ylthiadiazol-5-yl)methanol (CID 106765130) is (4-bromo-3-chloro-2-fluorophenyl)-(4-propan-2-ylthiadiazol-5-yl)methanol.
What is the SMILES notation for (4-bromo-3-chloro-2-fluorophenyl)-(4-propan-2-ylthiadiazol-5-yl)methanol?
The canonical SMILES for (4-bromo-3-chloro-2-fluorophenyl)-(4-propan-2-ylthiadiazol-5-yl)methanol is CC(C)c1nnsc1C(O)c1ccc(Br)c(Cl)c1F.
What is the InChIKey of (4-bromo-3-chloro-2-fluorophenyl)-(4-propan-2-ylthiadiazol-5-yl)methanol?
The InChIKey is ONOXYIMYUJMECO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrClFN2OS/c1-5(2)10-12(19-17-16-10)11(18)6-3-4-7(13)8(14)9(6)15/h3-5,11,18H,1-2H3.
What are the key properties of (4-bromo-3-chloro-2-fluorophenyl)-(4-propan-2-ylthiadiazol-5-yl)methanol?
(4-bromo-3-chloro-2-fluorophenyl)-(4-propan-2-ylthiadiazol-5-yl)methanol has a molecular weight of 365.66 g/mol, XLogP of 4.30, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-3-chloro-2-fluorophenyl)-(4-propan-2-ylthiadiazol-5-yl)methanol is sourced from PubChem (CID 106765130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).