3-(4,5-dimethyl-1,3-thiazol-2-yl)-2-methyl-1-phenylpropan-1-ol

C15H19NOS — CID 104846232

IUPAC3-(4,5-dimethyl-1,3-thiazol-2-yl)-2-methyl-1-phenylpropan-1-ol
SMILESCc1nc(CC(C)C(O)c2ccccc2)sc1C
InChIInChI=1S/C15H19NOS/c1-10(9-14-16-11(2)12(3)18-14)15(17)13-7-5-4-6-8-13/h4-8,10,15,17H,9H2,1-3H3
InChIKeyUERKCMRPFZXWMJ-UHFFFAOYSA-N
MW261.39 g/mol
LogP3.67
Rot. Bonds4

About 3-(4,5-dimethyl-1,3-thiazol-2-yl)-2-methyl-1-phenylpropan-1-ol

3-(4,5-dimethyl-1,3-thiazol-2-yl)-2-methyl-1-phenylpropan-1-ol (PubChem CID 104846232) has the molecular formula C15H19NOS and a molecular weight of 261.39 g/mol. Its IUPAC name is 3-(4,5-dimethyl-1,3-thiazol-2-yl)-2-methyl-1-phenylpropan-1-ol.

Molecular Properties

Compound Name3-(4,5-dimethyl-1,3-thiazol-2-yl)-2-methyl-1-phenylpropan-1-ol
PubChem CID104846232
Molecular FormulaC15H19NOS
Molecular Weight261.39 g/mol
Exact Mass261.12
IUPAC Name3-(4,5-dimethyl-1,3-thiazol-2-yl)-2-methyl-1-phenylpropan-1-ol
SMILESCc1nc(CC(C)C(O)c2ccccc2)sc1C
InChIInChI=1S/C15H19NOS/c1-10(9-14-16-11(2)12(3)18-14)15(17)13-7-5-4-6-8-13/h4-8,10,15,17H,9H2,1-3H3
InChIKeyUERKCMRPFZXWMJ-UHFFFAOYSA-N
XLogP3.67
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.39
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4,5-dimethyl-1,3-thiazol-2-yl)-N-methyl-1-phenylethanamine
CID 65168981
[2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-phenylethyl]hydrazine
CID 105199172
4,5-dimethyl-2-(1-phenylethyl)-1,3-thiazole
CID 83382597
5-amino-1-(4,5-dimethyl-1,3-thiazol-2-yl)-5-phenylpentan-2-one
CID 116570826
3-(4-chloro-1,3-dimethylpyrazol-5-yl)-2-methyl-1-phenylpropan-1-ol
CID 104846129
3-imidazo[1,2-a]pyridin-2-yl-2-methyl-1-phenylpropan-1-ol
CID 104846255
2-methyl-1-(4-methylphenyl)-3-phenylpropan-1-ol
CID 70499675
2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(6-methyl-3-pyridinyl)ethanol
CID 104823085
3-(1,3-benzothiazol-2-yl)-1-phenylpropane-1,2-diol
CID 103459476
3-(2,6-difluorophenyl)-2-methyl-1-phenylpropan-1-ol
CID 114933094
2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-phenylethanone;hydrobromide
CID 174879579
2-methyl-1-phenylhexane-1,5-diol
CID 104846103

Frequently Asked Questions

What is the IUPAC name of 3-(4,5-dimethyl-1,3-thiazol-2-yl)-2-methyl-1-phenylpropan-1-ol?
The IUPAC name of 3-(4,5-dimethyl-1,3-thiazol-2-yl)-2-methyl-1-phenylpropan-1-ol (CID 104846232) is 3-(4,5-dimethyl-1,3-thiazol-2-yl)-2-methyl-1-phenylpropan-1-ol.
What is the SMILES notation for 3-(4,5-dimethyl-1,3-thiazol-2-yl)-2-methyl-1-phenylpropan-1-ol?
The canonical SMILES for 3-(4,5-dimethyl-1,3-thiazol-2-yl)-2-methyl-1-phenylpropan-1-ol is Cc1nc(CC(C)C(O)c2ccccc2)sc1C.
What is the InChIKey of 3-(4,5-dimethyl-1,3-thiazol-2-yl)-2-methyl-1-phenylpropan-1-ol?
The InChIKey is UERKCMRPFZXWMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NOS/c1-10(9-14-16-11(2)12(3)18-14)15(17)13-7-5-4-6-8-13/h4-8,10,15,17H,9H2,1-3H3.
What are the key properties of 3-(4,5-dimethyl-1,3-thiazol-2-yl)-2-methyl-1-phenylpropan-1-ol?
3-(4,5-dimethyl-1,3-thiazol-2-yl)-2-methyl-1-phenylpropan-1-ol has a molecular weight of 261.39 g/mol, XLogP of 3.67, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,5-dimethyl-1,3-thiazol-2-yl)-2-methyl-1-phenylpropan-1-ol is sourced from PubChem (CID 104846232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).