(4-bromo-1,3-thiazol-5-yl)-(3-propan-2-yloxyphenyl)methanol

C13H14BrNO2S — CID 114102793

IUPAC(4-bromo-1,3-thiazol-5-yl)-(3-propan-2-yloxyphenyl)methanol
SMILESCC(C)Oc1cccc(C(O)c2scnc2Br)c1
InChIInChI=1S/C13H14BrNO2S/c1-8(2)17-10-5-3-4-9(6-10)11(16)12-13(14)15-7-18-12/h3-8,11,16H,1-2H3
InChIKeyVWZMRXHEJWSLDH-UHFFFAOYSA-N
MW328.23 g/mol
LogP3.77
Rot. Bonds4

About (4-bromo-1,3-thiazol-5-yl)-(3-propan-2-yloxyphenyl)methanol

(4-bromo-1,3-thiazol-5-yl)-(3-propan-2-yloxyphenyl)methanol (PubChem CID 114102793) has the molecular formula C13H14BrNO2S and a molecular weight of 328.23 g/mol. Its IUPAC name is (4-bromo-1,3-thiazol-5-yl)-(3-propan-2-yloxyphenyl)methanol.

Molecular Properties

Compound Name(4-bromo-1,3-thiazol-5-yl)-(3-propan-2-yloxyphenyl)methanol
PubChem CID114102793
Molecular FormulaC13H14BrNO2S
Molecular Weight328.23 g/mol
Exact Mass326.99
IUPAC Name(4-bromo-1,3-thiazol-5-yl)-(3-propan-2-yloxyphenyl)methanol
SMILESCC(C)Oc1cccc(C(O)c2scnc2Br)c1
InChIInChI=1S/C13H14BrNO2S/c1-8(2)17-10-5-3-4-9(6-10)11(16)12-13(14)15-7-18-12/h3-8,11,16H,1-2H3
InChIKeyVWZMRXHEJWSLDH-UHFFFAOYSA-N
XLogP3.77
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.23
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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(1S)-1-(3-propan-2-yloxyphenyl)ethanol
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(2-bromo-3-methylphenyl)-(3-propan-2-yloxyphenyl)methanol
CID 107985793
(3-propan-2-yloxyphenyl)-(4-propylthiadiazol-5-yl)methanol
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(2,4-dibromophenyl)-(3-propan-2-yloxyphenyl)methanol
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(2,5-dibromo-4-methylphenyl)-(3-propan-2-yloxyphenyl)methanol
CID 81473774
(3-chlorophenyl)-(3-propan-2-yloxyphenyl)methanol
CID 63895368
(4-aminophenyl)-(3-propan-2-yloxyphenyl)methanol
CID 106695525
(4-bromo-5-chloro-2-fluorophenyl)-(3-propan-2-yloxyphenyl)methanol
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(1,3-dimethylpyrazol-4-yl)-(3-propan-2-yloxyphenyl)methanol
CID 83091659
(4-bromo-2-methoxyphenyl)-(3-propan-2-yloxyphenyl)methanol
CID 115824010

Frequently Asked Questions

What is the IUPAC name of (4-bromo-1,3-thiazol-5-yl)-(3-propan-2-yloxyphenyl)methanol?
The IUPAC name of (4-bromo-1,3-thiazol-5-yl)-(3-propan-2-yloxyphenyl)methanol (CID 114102793) is (4-bromo-1,3-thiazol-5-yl)-(3-propan-2-yloxyphenyl)methanol.
What is the SMILES notation for (4-bromo-1,3-thiazol-5-yl)-(3-propan-2-yloxyphenyl)methanol?
The canonical SMILES for (4-bromo-1,3-thiazol-5-yl)-(3-propan-2-yloxyphenyl)methanol is CC(C)Oc1cccc(C(O)c2scnc2Br)c1.
What is the InChIKey of (4-bromo-1,3-thiazol-5-yl)-(3-propan-2-yloxyphenyl)methanol?
The InChIKey is VWZMRXHEJWSLDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrNO2S/c1-8(2)17-10-5-3-4-9(6-10)11(16)12-13(14)15-7-18-12/h3-8,11,16H,1-2H3.
What are the key properties of (4-bromo-1,3-thiazol-5-yl)-(3-propan-2-yloxyphenyl)methanol?
(4-bromo-1,3-thiazol-5-yl)-(3-propan-2-yloxyphenyl)methanol has a molecular weight of 328.23 g/mol, XLogP of 3.77, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-1,3-thiazol-5-yl)-(3-propan-2-yloxyphenyl)methanol is sourced from PubChem (CID 114102793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).