1-(3,5-dimethylphenoxy)-3-[methyl(1,3-thiazol-2-ylmethyl)amino]propan-2-ol

C16H22N2O2S — CID 111613532

IUPAC1-(3,5-dimethylphenoxy)-3-[methyl(1,3-thiazol-2-ylmethyl)amino]propan-2-ol
SMILESCc1cc(C)cc(OCC(O)CN(C)Cc2nccs2)c1
InChIInChI=1S/C16H22N2O2S/c1-12-6-13(2)8-15(7-12)20-11-14(19)9-18(3)10-16-17-4-5-21-16/h4-8,14,19H,9-11H2,1-3H3
InChIKeyCJOVZEBDQNAOHZ-UHFFFAOYSA-N
MW306.43 g/mol
LogP2.63
Rot. Bonds7

About 1-(3,5-dimethylphenoxy)-3-[methyl(1,3-thiazol-2-ylmethyl)amino]propan-2-ol

1-(3,5-dimethylphenoxy)-3-[methyl(1,3-thiazol-2-ylmethyl)amino]propan-2-ol (PubChem CID 111613532) has the molecular formula C16H22N2O2S and a molecular weight of 306.43 g/mol. Its IUPAC name is 1-(3,5-dimethylphenoxy)-3-[methyl(1,3-thiazol-2-ylmethyl)amino]propan-2-ol.

Molecular Properties

Compound Name1-(3,5-dimethylphenoxy)-3-[methyl(1,3-thiazol-2-ylmethyl)amino]propan-2-ol
PubChem CID111613532
Molecular FormulaC16H22N2O2S
Molecular Weight306.43 g/mol
Exact Mass306.14
IUPAC Name1-(3,5-dimethylphenoxy)-3-[methyl(1,3-thiazol-2-ylmethyl)amino]propan-2-ol
SMILESCc1cc(C)cc(OCC(O)CN(C)Cc2nccs2)c1
InChIInChI=1S/C16H22N2O2S/c1-12-6-13(2)8-15(7-12)20-11-14(19)9-18(3)10-16-17-4-5-21-16/h4-8,14,19H,9-11H2,1-3H3
InChIKeyCJOVZEBDQNAOHZ-UHFFFAOYSA-N
XLogP2.63
TPSA45.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.43
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[methyl(1,3-thiazol-2-ylmethyl)amino]-3-propan-2-yloxypropan-2-ol
CID 111613528
1-[2,2-difluoroethyl(methyl)amino]-3-(3,5-dimethylphenoxy)propan-2-ol
CID 110936185
1-(3,5-dimethylphenoxy)-3-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl-methylamino]propan-2-ol
CID 110936161
1-[butyl(methyl)amino]-3-(3,5-dimethylphenoxy)propan-2-ol
CID 78782909
1-(3,5-dimethylphenoxy)-3-[methyl(3,3,3-trifluoropropyl)amino]propan-2-ol
CID 110905337
1-[methyl-[(3-methylthiophen-2-yl)methyl]amino]-3-(4-methylphenoxy)propan-2-ol
CID 78800592
1-(3-methylphenoxy)-3-[methyl(thiophen-2-ylmethyl)amino]propan-2-ol
CID 3490148
2-[[3-(3,5-dimethylphenoxy)-2-hydroxypropyl]-methylamino]-N-(2,4,6-trimethylphenyl)acetamide
CID 78831974
1-(3,5-dimethylphenyl)-3-(1,3-thiazol-2-yl)propan-2-ol
CID 79824564
1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl-methylamino]-3-(3-methylphenoxy)propan-2-ol
CID 110936166
1-[cyclohexyl(methyl)amino]-3-[2-[[methyl(1,3-thiazol-2-ylmethyl)amino]methyl]phenoxy]propan-2-ol
CID 45210215
1-(4-aminophenoxy)-3-[methyl(pyridin-4-ylmethyl)amino]propan-2-ol
CID 43563910

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethylphenoxy)-3-[methyl(1,3-thiazol-2-ylmethyl)amino]propan-2-ol?
The IUPAC name of 1-(3,5-dimethylphenoxy)-3-[methyl(1,3-thiazol-2-ylmethyl)amino]propan-2-ol (CID 111613532) is 1-(3,5-dimethylphenoxy)-3-[methyl(1,3-thiazol-2-ylmethyl)amino]propan-2-ol.
What is the SMILES notation for 1-(3,5-dimethylphenoxy)-3-[methyl(1,3-thiazol-2-ylmethyl)amino]propan-2-ol?
The canonical SMILES for 1-(3,5-dimethylphenoxy)-3-[methyl(1,3-thiazol-2-ylmethyl)amino]propan-2-ol is Cc1cc(C)cc(OCC(O)CN(C)Cc2nccs2)c1.
What is the InChIKey of 1-(3,5-dimethylphenoxy)-3-[methyl(1,3-thiazol-2-ylmethyl)amino]propan-2-ol?
The InChIKey is CJOVZEBDQNAOHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2S/c1-12-6-13(2)8-15(7-12)20-11-14(19)9-18(3)10-16-17-4-5-21-16/h4-8,14,19H,9-11H2,1-3H3.
What are the key properties of 1-(3,5-dimethylphenoxy)-3-[methyl(1,3-thiazol-2-ylmethyl)amino]propan-2-ol?
1-(3,5-dimethylphenoxy)-3-[methyl(1,3-thiazol-2-ylmethyl)amino]propan-2-ol has a molecular weight of 306.43 g/mol, XLogP of 2.63, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethylphenoxy)-3-[methyl(1,3-thiazol-2-ylmethyl)amino]propan-2-ol is sourced from PubChem (CID 111613532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).