[2-[(2,3-dimethylphenoxy)methyl]-4-propan-2-yl-1,3-thiazol-5-yl]methanol

C16H21NO2S — CID 82434183

IUPAC[2-[(2,3-dimethylphenoxy)methyl]-4-propan-2-yl-1,3-thiazol-5-yl]methanol
SMILESCc1cccc(OCc2nc(C(C)C)c(CO)s2)c1C
InChIInChI=1S/C16H21NO2S/c1-10(2)16-14(8-18)20-15(17-16)9-19-13-7-5-6-11(3)12(13)4/h5-7,10,18H,8-9H2,1-4H3
InChIKeyRGHFKJIMCAIDOW-UHFFFAOYSA-N
MW291.42 g/mol
LogP3.95
Rot. Bonds5

About [2-[(2,3-dimethylphenoxy)methyl]-4-propan-2-yl-1,3-thiazol-5-yl]methanol

[2-[(2,3-dimethylphenoxy)methyl]-4-propan-2-yl-1,3-thiazol-5-yl]methanol (PubChem CID 82434183) has the molecular formula C16H21NO2S and a molecular weight of 291.42 g/mol. Its IUPAC name is [2-[(2,3-dimethylphenoxy)methyl]-4-propan-2-yl-1,3-thiazol-5-yl]methanol.

Molecular Properties

Compound Name[2-[(2,3-dimethylphenoxy)methyl]-4-propan-2-yl-1,3-thiazol-5-yl]methanol
PubChem CID82434183
Molecular FormulaC16H21NO2S
Molecular Weight291.42 g/mol
Exact Mass291.13
IUPAC Name[2-[(2,3-dimethylphenoxy)methyl]-4-propan-2-yl-1,3-thiazol-5-yl]methanol
SMILESCc1cccc(OCc2nc(C(C)C)c(CO)s2)c1C
InChIInChI=1S/C16H21NO2S/c1-10(2)16-14(8-18)20-15(17-16)9-19-13-7-5-6-11(3)12(13)4/h5-7,10,18H,8-9H2,1-4H3
InChIKeyRGHFKJIMCAIDOW-UHFFFAOYSA-N
XLogP3.95
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.42
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-[(2,3-dimethylphenoxy)methyl]-4-propan-2-yl-1,3-thiazol-5-yl]methanol?
The IUPAC name of [2-[(2,3-dimethylphenoxy)methyl]-4-propan-2-yl-1,3-thiazol-5-yl]methanol (CID 82434183) is [2-[(2,3-dimethylphenoxy)methyl]-4-propan-2-yl-1,3-thiazol-5-yl]methanol.
What is the SMILES notation for [2-[(2,3-dimethylphenoxy)methyl]-4-propan-2-yl-1,3-thiazol-5-yl]methanol?
The canonical SMILES for [2-[(2,3-dimethylphenoxy)methyl]-4-propan-2-yl-1,3-thiazol-5-yl]methanol is Cc1cccc(OCc2nc(C(C)C)c(CO)s2)c1C.
What is the InChIKey of [2-[(2,3-dimethylphenoxy)methyl]-4-propan-2-yl-1,3-thiazol-5-yl]methanol?
The InChIKey is RGHFKJIMCAIDOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO2S/c1-10(2)16-14(8-18)20-15(17-16)9-19-13-7-5-6-11(3)12(13)4/h5-7,10,18H,8-9H2,1-4H3.
What are the key properties of [2-[(2,3-dimethylphenoxy)methyl]-4-propan-2-yl-1,3-thiazol-5-yl]methanol?
[2-[(2,3-dimethylphenoxy)methyl]-4-propan-2-yl-1,3-thiazol-5-yl]methanol has a molecular weight of 291.42 g/mol, XLogP of 3.95, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2,3-dimethylphenoxy)methyl]-4-propan-2-yl-1,3-thiazol-5-yl]methanol is sourced from PubChem (CID 82434183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).