3-(2-methyl-1,3-thiazol-4-yl)-1-phenylpropane-1,2-diol

C13H15NO2S — CID 103459359

IUPAC3-(2-methyl-1,3-thiazol-4-yl)-1-phenylpropane-1,2-diol
SMILESCc1nc(CC(O)C(O)c2ccccc2)cs1
InChIInChI=1S/C13H15NO2S/c1-9-14-11(8-17-9)7-12(15)13(16)10-5-3-2-4-6-10/h2-6,8,12-13,15-16H,7H2,1H3
InChIKeyBOHVEGNBJGWFIZ-UHFFFAOYSA-N
MW249.34 g/mol
LogP2.09
Rot. Bonds4

About 3-(2-methyl-1,3-thiazol-4-yl)-1-phenylpropane-1,2-diol

3-(2-methyl-1,3-thiazol-4-yl)-1-phenylpropane-1,2-diol (PubChem CID 103459359) has the molecular formula C13H15NO2S and a molecular weight of 249.34 g/mol. Its IUPAC name is 3-(2-methyl-1,3-thiazol-4-yl)-1-phenylpropane-1,2-diol.

Molecular Properties

Compound Name3-(2-methyl-1,3-thiazol-4-yl)-1-phenylpropane-1,2-diol
PubChem CID103459359
Molecular FormulaC13H15NO2S
Molecular Weight249.34 g/mol
Exact Mass249.08
IUPAC Name3-(2-methyl-1,3-thiazol-4-yl)-1-phenylpropane-1,2-diol
SMILESCc1nc(CC(O)C(O)c2ccccc2)cs1
InChIInChI=1S/C13H15NO2S/c1-9-14-11(8-17-9)7-12(15)13(16)10-5-3-2-4-6-10/h2-6,8,12-13,15-16H,7H2,1H3
InChIKeyBOHVEGNBJGWFIZ-UHFFFAOYSA-N
XLogP2.09
TPSA53.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.34
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-methyl-1,3-thiazol-4-yl)-3-phenylpropan-2-ol
CID 62798798
1-(4-aminophenyl)-2-(2-methyl-1,3-thiazol-4-yl)ethanol
CID 106695570
2-[(2-methyl-1,3-thiazol-4-yl)methylamino]-1-phenylethanol
CID 43392287
1-(2-chlorophenyl)-2-(2-methyl-1,3-thiazol-4-yl)ethanol
CID 62798973
1-(1-benzothiophen-3-yl)-3-(2-methyl-1,3-thiazol-4-yl)propan-2-ol
CID 63737758
1-[4-(difluoromethyl)phenyl]-2-(2-methyl-1,3-thiazol-4-yl)ethanol
CID 113328508
1-(4-chlorophenyl)-2-(2-methyl-1,3-thiazol-4-yl)ethanol
CID 62799150
1-[3-(dimethylamino)phenyl]-2-(2-methyl-1,3-thiazol-4-yl)ethanol
CID 105106644
(1R)-3-[methyl-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]amino]-1-phenylpropan-1-ol
CID 124758426
N-[(2-methyl-1,3-thiazol-4-yl)methyl]-3,3-diphenylpropanamide
CID 110717408
2-(2-methylphenyl)-3-(2-methyl-1,3-thiazol-4-yl)propanoic acid
CID 79421180
2-(3-chlorophenyl)-3-(2-methyl-1,3-thiazol-4-yl)propanoic acid
CID 79440259

Frequently Asked Questions

What is the IUPAC name of 3-(2-methyl-1,3-thiazol-4-yl)-1-phenylpropane-1,2-diol?
The IUPAC name of 3-(2-methyl-1,3-thiazol-4-yl)-1-phenylpropane-1,2-diol (CID 103459359) is 3-(2-methyl-1,3-thiazol-4-yl)-1-phenylpropane-1,2-diol.
What is the SMILES notation for 3-(2-methyl-1,3-thiazol-4-yl)-1-phenylpropane-1,2-diol?
The canonical SMILES for 3-(2-methyl-1,3-thiazol-4-yl)-1-phenylpropane-1,2-diol is Cc1nc(CC(O)C(O)c2ccccc2)cs1.
What is the InChIKey of 3-(2-methyl-1,3-thiazol-4-yl)-1-phenylpropane-1,2-diol?
The InChIKey is BOHVEGNBJGWFIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO2S/c1-9-14-11(8-17-9)7-12(15)13(16)10-5-3-2-4-6-10/h2-6,8,12-13,15-16H,7H2,1H3.
What are the key properties of 3-(2-methyl-1,3-thiazol-4-yl)-1-phenylpropane-1,2-diol?
3-(2-methyl-1,3-thiazol-4-yl)-1-phenylpropane-1,2-diol has a molecular weight of 249.34 g/mol, XLogP of 2.09, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methyl-1,3-thiazol-4-yl)-1-phenylpropane-1,2-diol is sourced from PubChem (CID 103459359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).