1-[2-(2-methylphenyl)-1,3-thiazol-5-yl]propan-2-ol

C13H15NOS — CID 115091825

IUPAC1-[2-(2-methylphenyl)-1,3-thiazol-5-yl]propan-2-ol
SMILESCc1ccccc1-c1ncc(CC(C)O)s1
InChIInChI=1S/C13H15NOS/c1-9-5-3-4-6-12(9)13-14-8-11(16-13)7-10(2)15/h3-6,8,10,15H,7H2,1-2H3
InChIKeyHIECEGOZYZRVJE-UHFFFAOYSA-N
MW233.34 g/mol
LogP3.04
Rot. Bonds3

About 1-[2-(2-methylphenyl)-1,3-thiazol-5-yl]propan-2-ol

1-[2-(2-methylphenyl)-1,3-thiazol-5-yl]propan-2-ol (PubChem CID 115091825) has the molecular formula C13H15NOS and a molecular weight of 233.34 g/mol. Its IUPAC name is 1-[2-(2-methylphenyl)-1,3-thiazol-5-yl]propan-2-ol.

Molecular Properties

Compound Name1-[2-(2-methylphenyl)-1,3-thiazol-5-yl]propan-2-ol
PubChem CID115091825
Molecular FormulaC13H15NOS
Molecular Weight233.34 g/mol
Exact Mass233.09
IUPAC Name1-[2-(2-methylphenyl)-1,3-thiazol-5-yl]propan-2-ol
SMILESCc1ccccc1-c1ncc(CC(C)O)s1
InChIInChI=1S/C13H15NOS/c1-9-5-3-4-6-12(9)13-14-8-11(16-13)7-10(2)15/h3-6,8,10,15H,7H2,1-2H3
InChIKeyHIECEGOZYZRVJE-UHFFFAOYSA-N
XLogP3.04
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.34
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(4-methylphenyl)-1,3-thiazol-5-yl]propan-2-ol
CID 115091903
1-[2-(5-methylthiophen-2-yl)-1,3-thiazol-5-yl]propan-2-ol
CID 115091227
1-[2-[2-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]propan-2-amine
CID 115091866
(2R)-N-methyl-2-[methyl-[[2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]amino]propanamide
CID 95208947
N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-N-[[2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 50969385
dioxomanganese;2-(2-methylphenyl)-1,3-thiazole-5-carbaldehyde;[2-(2-methylphenyl)-1,3-thiazol-5-yl]methanol
CID 167702682
ethyl 2-(2-methylphenyl)-1,3-thiazole-5-carboxylate
CID 91757223
1-[2-(2-methylphenyl)-1,3-thiazol-5-yl]-N-[(5-methylpyrazin-2-yl)methyl]methanamine
CID 50977090
cyclopenta-1,4-dien-1-yl-[2-(2-methylphenyl)-1,3-thiazol-5-yl]methanol
CID 91928068
1-[2-(2-bromophenyl)-1,3-thiazol-5-yl]-N-methylpropan-2-amine
CID 115091875
2-[[5-(2-hydroxypropyl)-1,3-thiazol-2-yl]methyl]phenol
CID 115091474
(1R,5S)-9-[[2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]-9-azabicyclo[3.3.1]nonan-3-ol
CID 162631960

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-methylphenyl)-1,3-thiazol-5-yl]propan-2-ol?
The IUPAC name of 1-[2-(2-methylphenyl)-1,3-thiazol-5-yl]propan-2-ol (CID 115091825) is 1-[2-(2-methylphenyl)-1,3-thiazol-5-yl]propan-2-ol.
What is the SMILES notation for 1-[2-(2-methylphenyl)-1,3-thiazol-5-yl]propan-2-ol?
The canonical SMILES for 1-[2-(2-methylphenyl)-1,3-thiazol-5-yl]propan-2-ol is Cc1ccccc1-c1ncc(CC(C)O)s1.
What is the InChIKey of 1-[2-(2-methylphenyl)-1,3-thiazol-5-yl]propan-2-ol?
The InChIKey is HIECEGOZYZRVJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NOS/c1-9-5-3-4-6-12(9)13-14-8-11(16-13)7-10(2)15/h3-6,8,10,15H,7H2,1-2H3.
What are the key properties of 1-[2-(2-methylphenyl)-1,3-thiazol-5-yl]propan-2-ol?
1-[2-(2-methylphenyl)-1,3-thiazol-5-yl]propan-2-ol has a molecular weight of 233.34 g/mol, XLogP of 3.04, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-methylphenyl)-1,3-thiazol-5-yl]propan-2-ol is sourced from PubChem (CID 115091825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).