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

C15H19NO2S — CID 112612377

IUPAC[3-methyl-2-[(2-propan-2-yl-1,3-thiazol-4-yl)methoxy]phenyl]methanol
SMILESCc1cccc(CO)c1OCc1csc(C(C)C)n1
InChIInChI=1S/C15H19NO2S/c1-10(2)15-16-13(9-19-15)8-18-14-11(3)5-4-6-12(14)7-17/h4-6,9-10,17H,7-8H2,1-3H3
InChIKeyRHLVIGHCRZBWIQ-UHFFFAOYSA-N
MW277.39 g/mol
LogP3.65
Rot. Bonds5

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

[3-methyl-2-[(2-propan-2-yl-1,3-thiazol-4-yl)methoxy]phenyl]methanol (PubChem CID 112612377) has the molecular formula C15H19NO2S and a molecular weight of 277.39 g/mol. Its IUPAC name is [3-methyl-2-[(2-propan-2-yl-1,3-thiazol-4-yl)methoxy]phenyl]methanol.

Molecular Properties

Compound Name[3-methyl-2-[(2-propan-2-yl-1,3-thiazol-4-yl)methoxy]phenyl]methanol
PubChem CID112612377
Molecular FormulaC15H19NO2S
Molecular Weight277.39 g/mol
Exact Mass277.11
IUPAC Name[3-methyl-2-[(2-propan-2-yl-1,3-thiazol-4-yl)methoxy]phenyl]methanol
SMILESCc1cccc(CO)c1OCc1csc(C(C)C)n1
InChIInChI=1S/C15H19NO2S/c1-10(2)15-16-13(9-19-15)8-18-14-11(3)5-4-6-12(14)7-17/h4-6,9-10,17H,7-8H2,1-3H3
InChIKeyRHLVIGHCRZBWIQ-UHFFFAOYSA-N
XLogP3.65
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.39
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[3-bromo-2-[(2-propan-2-yl-1,3-thiazol-4-yl)methoxy]phenyl]methanol
CID 61487516
N'-[2-(2,6-dimethylphenoxy)acetyl]-2-(2-propan-2-yl-1,3-thiazol-4-yl)acetohydrazide
CID 39716291
2-[2-[(2-propan-2-yl-1,3-thiazol-4-yl)methoxy]phenyl]ethanol
CID 107258145
[2-[(4-tert-butyl-1,3-thiazol-2-yl)methoxy]-3-methylphenyl]methanol
CID 115956158
2-[3-bromo-2-[(2-propan-2-yl-1,3-thiazol-4-yl)methoxy]phenyl]ethanamine
CID 61487604
[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
3,5-dimethyl-4-[(2-propan-2-yl-1,3-thiazol-4-yl)methoxy]benzaldehyde
CID 61036939
[2-[(5-bromo-2-pyridinyl)methoxy]-3-methylphenyl]methanol
CID 104798784
1-[3,5-dimethyl-4-[(2-propan-2-yl-1,3-thiazol-4-yl)methoxy]phenyl]-N-methylmethanamine
CID 61487391

Frequently Asked Questions

What is the IUPAC name of [3-methyl-2-[(2-propan-2-yl-1,3-thiazol-4-yl)methoxy]phenyl]methanol?
The IUPAC name of [3-methyl-2-[(2-propan-2-yl-1,3-thiazol-4-yl)methoxy]phenyl]methanol (CID 112612377) is [3-methyl-2-[(2-propan-2-yl-1,3-thiazol-4-yl)methoxy]phenyl]methanol.
What is the SMILES notation for [3-methyl-2-[(2-propan-2-yl-1,3-thiazol-4-yl)methoxy]phenyl]methanol?
The canonical SMILES for [3-methyl-2-[(2-propan-2-yl-1,3-thiazol-4-yl)methoxy]phenyl]methanol is Cc1cccc(CO)c1OCc1csc(C(C)C)n1.
What is the InChIKey of [3-methyl-2-[(2-propan-2-yl-1,3-thiazol-4-yl)methoxy]phenyl]methanol?
The InChIKey is RHLVIGHCRZBWIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO2S/c1-10(2)15-16-13(9-19-15)8-18-14-11(3)5-4-6-12(14)7-17/h4-6,9-10,17H,7-8H2,1-3H3.
What are the key properties of [3-methyl-2-[(2-propan-2-yl-1,3-thiazol-4-yl)methoxy]phenyl]methanol?
[3-methyl-2-[(2-propan-2-yl-1,3-thiazol-4-yl)methoxy]phenyl]methanol has a molecular weight of 277.39 g/mol, XLogP of 3.65, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-methyl-2-[(2-propan-2-yl-1,3-thiazol-4-yl)methoxy]phenyl]methanol is sourced from PubChem (CID 112612377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).