[2-[(4-tert-butyl-1,3-thiazol-2-yl)methoxy]-3-methylphenyl]methanol

C16H21NO2S — CID 115956158

IUPAC[2-[(4-tert-butyl-1,3-thiazol-2-yl)methoxy]-3-methylphenyl]methanol
SMILESCc1cccc(CO)c1OCc1nc(C(C)(C)C)cs1
InChIInChI=1S/C16H21NO2S/c1-11-6-5-7-12(8-18)15(11)19-9-14-17-13(10-20-14)16(2,3)4/h5-7,10,18H,8-9H2,1-4H3
InChIKeyDCBRCQVPSJZSAJ-UHFFFAOYSA-N
MW291.42 g/mol
LogP3.82
Rot. Bonds4

About [2-[(4-tert-butyl-1,3-thiazol-2-yl)methoxy]-3-methylphenyl]methanol

[2-[(4-tert-butyl-1,3-thiazol-2-yl)methoxy]-3-methylphenyl]methanol (PubChem CID 115956158) has the molecular formula C16H21NO2S and a molecular weight of 291.42 g/mol. Its IUPAC name is [2-[(4-tert-butyl-1,3-thiazol-2-yl)methoxy]-3-methylphenyl]methanol.

Molecular Properties

Compound Name[2-[(4-tert-butyl-1,3-thiazol-2-yl)methoxy]-3-methylphenyl]methanol
PubChem CID115956158
Molecular FormulaC16H21NO2S
Molecular Weight291.42 g/mol
Exact Mass291.13
IUPAC Name[2-[(4-tert-butyl-1,3-thiazol-2-yl)methoxy]-3-methylphenyl]methanol
SMILESCc1cccc(CO)c1OCc1nc(C(C)(C)C)cs1
InChIInChI=1S/C16H21NO2S/c1-11-6-5-7-12(8-18)15(11)19-9-14-17-13(10-20-14)16(2,3)4/h5-7,10,18H,8-9H2,1-4H3
InChIKeyDCBRCQVPSJZSAJ-UHFFFAOYSA-N
XLogP3.82
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.42
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-[(4-tert-butyl-1,3-thiazol-2-yl)methoxy]-3-fluorophenyl]methanol
CID 115956396
4-tert-butyl-2-[[2-(chloromethyl)-6-fluorophenoxy]methyl]-1,3-thiazole
CID 115956684
[3-methyl-2-[(2-propan-2-yl-1,3-thiazol-4-yl)methoxy]phenyl]methanol
CID 112612377
2-[4-[(4-tert-butyl-1,3-thiazol-2-yl)methoxy]phenyl]ethanol
CID 103844460
O-[[2-[(2,6-dimethylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]hydroxylamine
CID 39363958
1-[4-[(4-tert-butyl-1,3-thiazol-2-yl)methoxy]-3-methylphenyl]ethanone
CID 115687868
N-[[3-methyl-2-[(4-methyl-1,3-thiazol-2-yl)methoxy]phenyl]methyl]propan-1-amine
CID 115952839
2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(3-methyl-2-pyridinyl)ethanol
CID 79820653
2-[(6-bromo-3-pyridinyl)oxymethyl]-4-tert-butyl-1,3-thiazole
CID 103816184
[2-[(5-bromo-2-pyridinyl)methoxy]-3-methylphenyl]methanol
CID 104798784
2-[[2-(bromomethyl)-4-fluorophenoxy]methyl]-4-tert-butyl-1,3-thiazole
CID 107699041
[2-[[4-(2,6-difluorophenyl)-1,3-thiazol-2-yl]methoxy]-5-fluoro-3-(hydroxymethyl)phenyl]methanol
CID 91649156

Frequently Asked Questions

What is the IUPAC name of [2-[(4-tert-butyl-1,3-thiazol-2-yl)methoxy]-3-methylphenyl]methanol?
The IUPAC name of [2-[(4-tert-butyl-1,3-thiazol-2-yl)methoxy]-3-methylphenyl]methanol (CID 115956158) is [2-[(4-tert-butyl-1,3-thiazol-2-yl)methoxy]-3-methylphenyl]methanol.
What is the SMILES notation for [2-[(4-tert-butyl-1,3-thiazol-2-yl)methoxy]-3-methylphenyl]methanol?
The canonical SMILES for [2-[(4-tert-butyl-1,3-thiazol-2-yl)methoxy]-3-methylphenyl]methanol is Cc1cccc(CO)c1OCc1nc(C(C)(C)C)cs1.
What is the InChIKey of [2-[(4-tert-butyl-1,3-thiazol-2-yl)methoxy]-3-methylphenyl]methanol?
The InChIKey is DCBRCQVPSJZSAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO2S/c1-11-6-5-7-12(8-18)15(11)19-9-14-17-13(10-20-14)16(2,3)4/h5-7,10,18H,8-9H2,1-4H3.
What are the key properties of [2-[(4-tert-butyl-1,3-thiazol-2-yl)methoxy]-3-methylphenyl]methanol?
[2-[(4-tert-butyl-1,3-thiazol-2-yl)methoxy]-3-methylphenyl]methanol has a molecular weight of 291.42 g/mol, XLogP of 3.82, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(4-tert-butyl-1,3-thiazol-2-yl)methoxy]-3-methylphenyl]methanol is sourced from PubChem (CID 115956158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).