2-methyl-1-phenyl-3-(1,3-thiazol-5-yl)propan-2-ol

C13H15NOS — CID 112641801

IUPAC2-methyl-1-phenyl-3-(1,3-thiazol-5-yl)propan-2-ol
SMILESCC(O)(Cc1ccccc1)Cc1cncs1
InChIInChI=1S/C13H15NOS/c1-13(15,8-12-9-14-10-16-12)7-11-5-3-2-4-6-11/h2-6,9-10,15H,7-8H2,1H3
InChIKeyCSNBAFAUAQBBJW-UHFFFAOYSA-N
MW233.34 g/mol
LogP2.68
Rot. Bonds4

About 2-methyl-1-phenyl-3-(1,3-thiazol-5-yl)propan-2-ol

2-methyl-1-phenyl-3-(1,3-thiazol-5-yl)propan-2-ol (PubChem CID 112641801) has the molecular formula C13H15NOS and a molecular weight of 233.34 g/mol. Its IUPAC name is 2-methyl-1-phenyl-3-(1,3-thiazol-5-yl)propan-2-ol.

Molecular Properties

Compound Name2-methyl-1-phenyl-3-(1,3-thiazol-5-yl)propan-2-ol
PubChem CID112641801
Molecular FormulaC13H15NOS
Molecular Weight233.34 g/mol
Exact Mass233.09
IUPAC Name2-methyl-1-phenyl-3-(1,3-thiazol-5-yl)propan-2-ol
SMILESCC(O)(Cc1ccccc1)Cc1cncs1
InChIInChI=1S/C13H15NOS/c1-13(15,8-12-9-14-10-16-12)7-11-5-3-2-4-6-11/h2-6,9-10,15H,7-8H2,1H3
InChIKeyCSNBAFAUAQBBJW-UHFFFAOYSA-N
XLogP2.68
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 ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(tert-butylamino)-2-methyl-3-(1,3-thiazol-5-yl)propan-2-ol
CID 112645209
5-[2-benzyl-3-chloro-2-(chloromethyl)propyl]-1,3-thiazole
CID 112645411
5-[2-benzyl-3-bromo-2-(bromomethyl)propyl]-1,3-thiazole
CID 112645432
2-phenyl-1-(1,3-thiazol-5-yl)butan-2-ol
CID 112641782
2-methyl-4-phenyl-N-(1,3-thiazol-5-ylmethyl)butan-2-amine
CID 115732424
1,1-dimethoxy-2-methyl-3-(1,3-thiazol-5-yl)propan-2-ol
CID 112642005
2-methyl-1-(2-methylphenyl)-3-phenylpropan-2-ol
CID 114994895
1-(2-fluorophenyl)-2-methyl-3-(1,3-thiazol-5-yl)propan-2-amine
CID 114833540
2-(2,5-dimethylphenyl)-1-(1,3-thiazol-5-yl)propan-2-ol
CID 112641794
4-[2-hydroxy-1-(1,3-thiazol-5-yl)propan-2-yl]benzonitrile
CID 112642079
1-(3,4-dichlorophenyl)-2-methyl-3-phenylpropan-2-ol
CID 63012421
N-tert-butyl-2,2-dimethyl-3-(1,3-thiazol-5-yl)propan-1-amine
CID 112644065

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-phenyl-3-(1,3-thiazol-5-yl)propan-2-ol?
The IUPAC name of 2-methyl-1-phenyl-3-(1,3-thiazol-5-yl)propan-2-ol (CID 112641801) is 2-methyl-1-phenyl-3-(1,3-thiazol-5-yl)propan-2-ol.
What is the SMILES notation for 2-methyl-1-phenyl-3-(1,3-thiazol-5-yl)propan-2-ol?
The canonical SMILES for 2-methyl-1-phenyl-3-(1,3-thiazol-5-yl)propan-2-ol is CC(O)(Cc1ccccc1)Cc1cncs1.
What is the InChIKey of 2-methyl-1-phenyl-3-(1,3-thiazol-5-yl)propan-2-ol?
The InChIKey is CSNBAFAUAQBBJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NOS/c1-13(15,8-12-9-14-10-16-12)7-11-5-3-2-4-6-11/h2-6,9-10,15H,7-8H2,1H3.
What are the key properties of 2-methyl-1-phenyl-3-(1,3-thiazol-5-yl)propan-2-ol?
2-methyl-1-phenyl-3-(1,3-thiazol-5-yl)propan-2-ol has a molecular weight of 233.34 g/mol, XLogP of 2.68, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-phenyl-3-(1,3-thiazol-5-yl)propan-2-ol is sourced from PubChem (CID 112641801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).