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

C13H15NOS — CID 62798798

IUPAC1-(2-methyl-1,3-thiazol-4-yl)-3-phenylpropan-2-ol
SMILESCc1nc(CC(O)Cc2ccccc2)cs1
InChIInChI=1S/C13H15NOS/c1-10-14-12(9-16-10)8-13(15)7-11-5-3-2-4-6-11/h2-6,9,13,15H,7-8H2,1H3
InChIKeyRTSRWEVMHOMBHL-UHFFFAOYSA-N
MW233.34 g/mol
LogP2.60
Rot. Bonds4

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

1-(2-methyl-1,3-thiazol-4-yl)-3-phenylpropan-2-ol (PubChem CID 62798798) has the molecular formula C13H15NOS and a molecular weight of 233.34 g/mol. Its IUPAC name is 1-(2-methyl-1,3-thiazol-4-yl)-3-phenylpropan-2-ol.

Molecular Properties

Compound Name1-(2-methyl-1,3-thiazol-4-yl)-3-phenylpropan-2-ol
PubChem CID62798798
Molecular FormulaC13H15NOS
Molecular Weight233.34 g/mol
Exact Mass233.09
IUPAC Name1-(2-methyl-1,3-thiazol-4-yl)-3-phenylpropan-2-ol
SMILESCc1nc(CC(O)Cc2ccccc2)cs1
InChIInChI=1S/C13H15NOS/c1-10-14-12(9-16-10)8-13(15)7-11-5-3-2-4-6-11/h2-6,9,13,15H,7-8H2,1H3
InChIKeyRTSRWEVMHOMBHL-UHFFFAOYSA-N
XLogP2.60
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.34
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-methylphenyl)-3-(2-methyl-1,3-thiazol-4-yl)propan-2-ol
CID 62799671
1-(3-bromophenyl)-3-(2-methyl-1,3-thiazol-4-yl)propan-2-ol
CID 62800030
1-(1-benzothiophen-3-yl)-3-(2-methyl-1,3-thiazol-4-yl)propan-2-ol
CID 63737758
3-(2-methyl-1,3-thiazol-4-yl)-1-phenylpropane-1,2-diol
CID 103459359
1-(1-methylpyrazol-3-yl)-3-(2-methyl-1,3-thiazol-4-yl)propan-2-ol
CID 82869603
1-(2-methyl-1,3-thiazol-4-yl)-4-pyridin-2-ylbutan-2-ol
CID 105106766
5-(2-methyl-1,3-thiazol-4-yl)pentane-1,4-diol
CID 106677820
4-methyl-1-(2-methyl-1,3-thiazol-4-yl)hexan-2-ol
CID 62798257
5,5,5-trifluoro-1-(2-methyl-1,3-thiazol-4-yl)pentan-2-ol
CID 64565731
1-(2-chlorophenyl)-2-(2-methyl-1,3-thiazol-4-yl)ethanol
CID 62798973
1-(2,5-dichlorophenyl)-3-(2-methyl-1,3-thiazol-4-yl)propan-2-ol
CID 65321611
1-(2,4-difluorophenyl)-3-(2-methyl-1,3-thiazol-4-yl)propan-2-ol
CID 55119653

Frequently Asked Questions

What is the IUPAC name of 1-(2-methyl-1,3-thiazol-4-yl)-3-phenylpropan-2-ol?
The IUPAC name of 1-(2-methyl-1,3-thiazol-4-yl)-3-phenylpropan-2-ol (CID 62798798) is 1-(2-methyl-1,3-thiazol-4-yl)-3-phenylpropan-2-ol.
What is the SMILES notation for 1-(2-methyl-1,3-thiazol-4-yl)-3-phenylpropan-2-ol?
The canonical SMILES for 1-(2-methyl-1,3-thiazol-4-yl)-3-phenylpropan-2-ol is Cc1nc(CC(O)Cc2ccccc2)cs1.
What is the InChIKey of 1-(2-methyl-1,3-thiazol-4-yl)-3-phenylpropan-2-ol?
The InChIKey is RTSRWEVMHOMBHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NOS/c1-10-14-12(9-16-10)8-13(15)7-11-5-3-2-4-6-11/h2-6,9,13,15H,7-8H2,1H3.
What are the key properties of 1-(2-methyl-1,3-thiazol-4-yl)-3-phenylpropan-2-ol?
1-(2-methyl-1,3-thiazol-4-yl)-3-phenylpropan-2-ol has a molecular weight of 233.34 g/mol, XLogP of 2.60, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyl-1,3-thiazol-4-yl)-3-phenylpropan-2-ol is sourced from PubChem (CID 62798798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).