[4-tert-butyl-2-[(3-methylphenoxy)methyl]-1,3-thiazol-5-yl]methanol

C16H21NO2S — CID 82438695

IUPAC[4-tert-butyl-2-[(3-methylphenoxy)methyl]-1,3-thiazol-5-yl]methanol
SMILESCc1cccc(OCc2nc(C(C)(C)C)c(CO)s2)c1
InChIInChI=1S/C16H21NO2S/c1-11-6-5-7-12(8-11)19-10-14-17-15(16(2,3)4)13(9-18)20-14/h5-8,18H,9-10H2,1-4H3
InChIKeyKRZQALBIFBMELK-UHFFFAOYSA-N
MW291.42 g/mol
LogP3.82
Rot. Bonds4

About [4-tert-butyl-2-[(3-methylphenoxy)methyl]-1,3-thiazol-5-yl]methanol

[4-tert-butyl-2-[(3-methylphenoxy)methyl]-1,3-thiazol-5-yl]methanol (PubChem CID 82438695) has the molecular formula C16H21NO2S and a molecular weight of 291.42 g/mol. Its IUPAC name is [4-tert-butyl-2-[(3-methylphenoxy)methyl]-1,3-thiazol-5-yl]methanol.

Molecular Properties

Compound Name[4-tert-butyl-2-[(3-methylphenoxy)methyl]-1,3-thiazol-5-yl]methanol
PubChem CID82438695
Molecular FormulaC16H21NO2S
Molecular Weight291.42 g/mol
Exact Mass291.13
IUPAC Name[4-tert-butyl-2-[(3-methylphenoxy)methyl]-1,3-thiazol-5-yl]methanol
SMILESCc1cccc(OCc2nc(C(C)(C)C)c(CO)s2)c1
InChIInChI=1S/C16H21NO2S/c1-11-6-5-7-12(8-11)19-10-14-17-15(16(2,3)4)13(9-18)20-14/h5-8,18H,9-10H2,1-4H3
InChIKeyKRZQALBIFBMELK-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-2-[(3-methylphenoxy)methyl]-1,3-thiazol-5-yl]acetonitrile
CID 82438699
[4-tert-butyl-2-[(2,4-dimethylphenoxy)methyl]-1,3-thiazol-5-yl]methanol
CID 82438725
[4-(methoxymethyl)-2-[(3-methylphenoxy)methyl]-1,3-thiazol-5-yl]methanol
CID 82440408
4-methyl-2-[(3-methylphenoxy)methyl]-1,3-thiazole-5-carbothioamide
CID 82425986
1-[4-ethyl-2-[(3-methylphenoxy)methyl]-1,3-thiazol-5-yl]ethanone
CID 82428830
[2-[(3,5-dimethylphenoxy)methyl]-4-propan-2-yl-1,3-thiazol-5-yl]methanol
CID 82434228
N-[[4-ethyl-2-[(3-methylphenoxy)methyl]-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 82428819
[2-[(3-chlorophenoxy)methyl]-4-propyl-1,3-thiazol-5-yl]methanol
CID 82431984
1-[2-[(3-methylphenoxy)methyl]-4-propan-2-yl-1,3-thiazol-5-yl]ethanamine
CID 82434130
4-cyclopropyl-2-[(3-methylphenoxy)methyl]-1,3-thiazole-5-carbohydrazide
CID 82436456
1-[2-[(3-methylphenoxy)methyl]-1,3-thiazol-4-yl]ethanone
CID 82295832
N-cyclopropyl-4-methyl-2-[(3-methylphenoxy)methyl]-1,3-thiazole-5-carboxamide
CID 16957722

Frequently Asked Questions

What is the IUPAC name of [4-tert-butyl-2-[(3-methylphenoxy)methyl]-1,3-thiazol-5-yl]methanol?
The IUPAC name of [4-tert-butyl-2-[(3-methylphenoxy)methyl]-1,3-thiazol-5-yl]methanol (CID 82438695) is [4-tert-butyl-2-[(3-methylphenoxy)methyl]-1,3-thiazol-5-yl]methanol.
What is the SMILES notation for [4-tert-butyl-2-[(3-methylphenoxy)methyl]-1,3-thiazol-5-yl]methanol?
The canonical SMILES for [4-tert-butyl-2-[(3-methylphenoxy)methyl]-1,3-thiazol-5-yl]methanol is Cc1cccc(OCc2nc(C(C)(C)C)c(CO)s2)c1.
What is the InChIKey of [4-tert-butyl-2-[(3-methylphenoxy)methyl]-1,3-thiazol-5-yl]methanol?
The InChIKey is KRZQALBIFBMELK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO2S/c1-11-6-5-7-12(8-11)19-10-14-17-15(16(2,3)4)13(9-18)20-14/h5-8,18H,9-10H2,1-4H3.
What are the key properties of [4-tert-butyl-2-[(3-methylphenoxy)methyl]-1,3-thiazol-5-yl]methanol?
[4-tert-butyl-2-[(3-methylphenoxy)methyl]-1,3-thiazol-5-yl]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 [4-tert-butyl-2-[(3-methylphenoxy)methyl]-1,3-thiazol-5-yl]methanol is sourced from PubChem (CID 82438695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).