[2-[(2,6-dimethylphenoxy)methyl]-4-propyl-1,3-thiazol-5-yl]methanol

C16H21NO2S — CID 82431915

IUPAC[2-[(2,6-dimethylphenoxy)methyl]-4-propyl-1,3-thiazol-5-yl]methanol
SMILESCCCc1nc(COc2c(C)cccc2C)sc1CO
InChIInChI=1S/C16H21NO2S/c1-4-6-13-14(9-18)20-15(17-13)10-19-16-11(2)7-5-8-12(16)3/h5,7-8,18H,4,6,9-10H2,1-3H3
InChIKeyXPVLJOJKRMTQPE-UHFFFAOYSA-N
MW291.42 g/mol
LogP3.78
Rot. Bonds6

About [2-[(2,6-dimethylphenoxy)methyl]-4-propyl-1,3-thiazol-5-yl]methanol

[2-[(2,6-dimethylphenoxy)methyl]-4-propyl-1,3-thiazol-5-yl]methanol (PubChem CID 82431915) has the molecular formula C16H21NO2S and a molecular weight of 291.42 g/mol. Its IUPAC name is [2-[(2,6-dimethylphenoxy)methyl]-4-propyl-1,3-thiazol-5-yl]methanol.

Molecular Properties

Compound Name[2-[(2,6-dimethylphenoxy)methyl]-4-propyl-1,3-thiazol-5-yl]methanol
PubChem CID82431915
Molecular FormulaC16H21NO2S
Molecular Weight291.42 g/mol
Exact Mass291.13
IUPAC Name[2-[(2,6-dimethylphenoxy)methyl]-4-propyl-1,3-thiazol-5-yl]methanol
SMILESCCCc1nc(COc2c(C)cccc2C)sc1CO
InChIInChI=1S/C16H21NO2S/c1-4-6-13-14(9-18)20-15(17-13)10-19-16-11(2)7-5-8-12(16)3/h5,7-8,18H,4,6,9-10H2,1-3H3
InChIKeyXPVLJOJKRMTQPE-UHFFFAOYSA-N
XLogP3.78
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.42
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-[(2,6-dimethylphenoxy)methyl]-4-(methoxymethyl)-1,3-thiazol-5-yl]methanol
CID 82440501
[2-[(3-chlorophenoxy)methyl]-4-propyl-1,3-thiazol-5-yl]methanol
CID 82431984
[2-[2-(2,6-dimethylphenoxy)ethyl]-4-(methoxymethyl)-1,3-thiazol-5-yl]methanol
CID 82441072
1-[2-[(2,6-dimethylphenoxy)methyl]-4-ethyl-1,3-thiazol-5-yl]-N-methylmethanamine
CID 82428977
4-[(2,6-dimethylphenoxy)methyl]-2-propyl-1,3-thiazole-5-carboxylic acid
CID 82226948
[2-[2-(3,4-dimethylphenoxy)ethyl]-4-propyl-1,3-thiazol-5-yl]methanol
CID 82432524
[2-[(2,6-dimethylphenoxy)methyl]-4-methyl-1,3-thiazol-5-yl]methanamine
CID 82133378
2-[(2,6-dimethylphenoxy)methyl]-4-ethyl-1,3-thiazole-5-carbothioamide
CID 82428979
[2-[2-(2,5-dimethylphenoxy)ethyl]-4-propyl-1,3-thiazol-5-yl]methanol
CID 82432518
N-[[2-[(4-methylphenoxy)methyl]-4-propyl-1,3-thiazol-5-yl]methyl]ethanamine
CID 82431840
1-[2-[(2,6-dimethylphenoxy)methyl]-4-methyl-1,3-thiazol-5-yl]ethanone
CID 94284215
[4-(methoxymethyl)-2-[(3-methylphenoxy)methyl]-1,3-thiazol-5-yl]methanol
CID 82440408

Frequently Asked Questions

What is the IUPAC name of [2-[(2,6-dimethylphenoxy)methyl]-4-propyl-1,3-thiazol-5-yl]methanol?
The IUPAC name of [2-[(2,6-dimethylphenoxy)methyl]-4-propyl-1,3-thiazol-5-yl]methanol (CID 82431915) is [2-[(2,6-dimethylphenoxy)methyl]-4-propyl-1,3-thiazol-5-yl]methanol.
What is the SMILES notation for [2-[(2,6-dimethylphenoxy)methyl]-4-propyl-1,3-thiazol-5-yl]methanol?
The canonical SMILES for [2-[(2,6-dimethylphenoxy)methyl]-4-propyl-1,3-thiazol-5-yl]methanol is CCCc1nc(COc2c(C)cccc2C)sc1CO.
What is the InChIKey of [2-[(2,6-dimethylphenoxy)methyl]-4-propyl-1,3-thiazol-5-yl]methanol?
The InChIKey is XPVLJOJKRMTQPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO2S/c1-4-6-13-14(9-18)20-15(17-13)10-19-16-11(2)7-5-8-12(16)3/h5,7-8,18H,4,6,9-10H2,1-3H3.
What are the key properties of [2-[(2,6-dimethylphenoxy)methyl]-4-propyl-1,3-thiazol-5-yl]methanol?
[2-[(2,6-dimethylphenoxy)methyl]-4-propyl-1,3-thiazol-5-yl]methanol has a molecular weight of 291.42 g/mol, XLogP of 3.78, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2,6-dimethylphenoxy)methyl]-4-propyl-1,3-thiazol-5-yl]methanol is sourced from PubChem (CID 82431915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).