[3-bromo-2-[(2-propan-2-yl-1,3-thiazol-4-yl)methoxy]phenyl]methanol

C14H16BrNO2S — CID 61487516

IUPAC[3-bromo-2-[(2-propan-2-yl-1,3-thiazol-4-yl)methoxy]phenyl]methanol
SMILESCC(C)c1nc(COc2c(Br)cccc2CO)cs1
InChIInChI=1S/C14H16BrNO2S/c1-9(2)14-16-11(8-19-14)7-18-13-10(6-17)4-3-5-12(13)15/h3-5,8-9,17H,6-7H2,1-2H3
InChIKeyBWIZJEZNZHUCSO-UHFFFAOYSA-N
MW342.26 g/mol
LogP4.10
Rot. Bonds5

About [3-bromo-2-[(2-propan-2-yl-1,3-thiazol-4-yl)methoxy]phenyl]methanol

[3-bromo-2-[(2-propan-2-yl-1,3-thiazol-4-yl)methoxy]phenyl]methanol (PubChem CID 61487516) has the molecular formula C14H16BrNO2S and a molecular weight of 342.26 g/mol. Its IUPAC name is [3-bromo-2-[(2-propan-2-yl-1,3-thiazol-4-yl)methoxy]phenyl]methanol.

Molecular Properties

Compound Name[3-bromo-2-[(2-propan-2-yl-1,3-thiazol-4-yl)methoxy]phenyl]methanol
PubChem CID61487516
Molecular FormulaC14H16BrNO2S
Molecular Weight342.26 g/mol
Exact Mass341.01
IUPAC Name[3-bromo-2-[(2-propan-2-yl-1,3-thiazol-4-yl)methoxy]phenyl]methanol
SMILESCC(C)c1nc(COc2c(Br)cccc2CO)cs1
InChIInChI=1S/C14H16BrNO2S/c1-9(2)14-16-11(8-19-14)7-18-13-10(6-17)4-3-5-12(13)15/h3-5,8-9,17H,6-7H2,1-2H3
InChIKeyBWIZJEZNZHUCSO-UHFFFAOYSA-N
XLogP4.10
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.26
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[3-methyl-2-[(2-propan-2-yl-1,3-thiazol-4-yl)methoxy]phenyl]methanol
CID 112612377
2-[3-bromo-2-[(2-propan-2-yl-1,3-thiazol-4-yl)methoxy]phenyl]ethanamine
CID 61487604
2-[2-[(2-propan-2-yl-1,3-thiazol-4-yl)methoxy]phenyl]ethanol
CID 107258145
[3,5-difluoro-4-[(2-propan-2-yl-1,3-thiazol-4-yl)methoxy]phenyl]methanol
CID 79888499
[2-[(2-propan-2-yl-1,3-thiazol-4-yl)methoxy]phenyl]methanamine
CID 54956681
2-[(2-propan-2-yl-1,3-thiazol-4-yl)methoxy]phenol
CID 54956266
[5-[(2-propan-2-yl-1,3-thiazol-4-yl)methoxy]-2-pyridinyl]methanol
CID 79799349
4-[(2-bromo-4-methoxyphenoxy)methyl]-2-propan-2-yl-1,3-thiazole
CID 104704731
[3-bromo-2-[(4-methoxyphenyl)methoxy]phenyl]methanol
CID 61391527
[3-bromo-2-[(4-tert-butylphenyl)methoxy]phenyl]methanol
CID 63533381
[5-nitro-2-[(2-propan-2-yl-1,3-thiazol-4-yl)methoxy]phenyl]methanol
CID 61487358
2-[3-bromo-2-[(2-propyl-1,3-thiazol-4-yl)methoxy]phenyl]ethanamine
CID 61487551

Frequently Asked Questions

What is the IUPAC name of [3-bromo-2-[(2-propan-2-yl-1,3-thiazol-4-yl)methoxy]phenyl]methanol?
The IUPAC name of [3-bromo-2-[(2-propan-2-yl-1,3-thiazol-4-yl)methoxy]phenyl]methanol (CID 61487516) is [3-bromo-2-[(2-propan-2-yl-1,3-thiazol-4-yl)methoxy]phenyl]methanol.
What is the SMILES notation for [3-bromo-2-[(2-propan-2-yl-1,3-thiazol-4-yl)methoxy]phenyl]methanol?
The canonical SMILES for [3-bromo-2-[(2-propan-2-yl-1,3-thiazol-4-yl)methoxy]phenyl]methanol is CC(C)c1nc(COc2c(Br)cccc2CO)cs1.
What is the InChIKey of [3-bromo-2-[(2-propan-2-yl-1,3-thiazol-4-yl)methoxy]phenyl]methanol?
The InChIKey is BWIZJEZNZHUCSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrNO2S/c1-9(2)14-16-11(8-19-14)7-18-13-10(6-17)4-3-5-12(13)15/h3-5,8-9,17H,6-7H2,1-2H3.
What are the key properties of [3-bromo-2-[(2-propan-2-yl-1,3-thiazol-4-yl)methoxy]phenyl]methanol?
[3-bromo-2-[(2-propan-2-yl-1,3-thiazol-4-yl)methoxy]phenyl]methanol has a molecular weight of 342.26 g/mol, XLogP of 4.10, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-bromo-2-[(2-propan-2-yl-1,3-thiazol-4-yl)methoxy]phenyl]methanol is sourced from PubChem (CID 61487516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).