1-[2-(4-methylphenyl)-1,3-thiazol-5-yl]propan-2-ol

C13H15NOS — CID 115091903

IUPAC1-[2-(4-methylphenyl)-1,3-thiazol-5-yl]propan-2-ol
SMILESCc1ccc(-c2ncc(CC(C)O)s2)cc1
InChIInChI=1S/C13H15NOS/c1-9-3-5-11(6-4-9)13-14-8-12(16-13)7-10(2)15/h3-6,8,10,15H,7H2,1-2H3
InChIKeyYKDIBQCAKRFRKU-UHFFFAOYSA-N
MW233.34 g/mol
LogP3.04
Rot. Bonds3

About 1-[2-(4-methylphenyl)-1,3-thiazol-5-yl]propan-2-ol

1-[2-(4-methylphenyl)-1,3-thiazol-5-yl]propan-2-ol (PubChem CID 115091903) has the molecular formula C13H15NOS and a molecular weight of 233.34 g/mol. Its IUPAC name is 1-[2-(4-methylphenyl)-1,3-thiazol-5-yl]propan-2-ol.

Molecular Properties

Compound Name1-[2-(4-methylphenyl)-1,3-thiazol-5-yl]propan-2-ol
PubChem CID115091903
Molecular FormulaC13H15NOS
Molecular Weight233.34 g/mol
Exact Mass233.09
IUPAC Name1-[2-(4-methylphenyl)-1,3-thiazol-5-yl]propan-2-ol
SMILESCc1ccc(-c2ncc(CC(C)O)s2)cc1
InChIInChI=1S/C13H15NOS/c1-9-3-5-11(6-4-9)13-14-8-12(16-13)7-10(2)15/h3-6,8,10,15H,7H2,1-2H3
InChIKeyYKDIBQCAKRFRKU-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-(5-methylthiophen-2-yl)-1,3-thiazol-5-yl]propan-2-ol
CID 115091227
1-[2-(2-methylphenyl)-1,3-thiazol-5-yl]propan-2-ol
CID 115091825
1-[2-(4-bromophenyl)-1,3-thiazol-5-yl]propan-2-amine
CID 115091945
2-(3,5-dimethylphenyl)-5-(2-methylpropyl)-1,3-thiazole
CID 174954862
(2R)-2-[[2-(4-methylphenyl)-1,3-thiazol-5-yl]methylamino]propan-1-ol
CID 111382371
1-[2-(4-methylphenyl)-1,3-thiazol-5-yl]ethanol
CID 62651208
2-[[2-(4-methylphenyl)-1,3-thiazol-5-yl]methylamino]propanoic acid
CID 120913270
1-[2-(4-methylphenyl)-1,3-oxazol-5-yl]propan-2-ol
CID 115087326
ethane;5-methyl-2-(4-methylphenyl)-1,3-thiazole
CID 123316346
N-[[2-(4-methylphenyl)-1,3-thiazol-5-yl]methyl]cyclopentanamine
CID 82422546
1-[2-[(4-chlorophenyl)methyl]-1,3-thiazol-5-yl]propan-2-ol
CID 115091580
1-[[[2-(4-methylphenyl)-1,3-thiazol-5-yl]methylamino]methyl]cyclobutan-1-ol
CID 111382420

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-methylphenyl)-1,3-thiazol-5-yl]propan-2-ol?
The IUPAC name of 1-[2-(4-methylphenyl)-1,3-thiazol-5-yl]propan-2-ol (CID 115091903) is 1-[2-(4-methylphenyl)-1,3-thiazol-5-yl]propan-2-ol.
What is the SMILES notation for 1-[2-(4-methylphenyl)-1,3-thiazol-5-yl]propan-2-ol?
The canonical SMILES for 1-[2-(4-methylphenyl)-1,3-thiazol-5-yl]propan-2-ol is Cc1ccc(-c2ncc(CC(C)O)s2)cc1.
What is the InChIKey of 1-[2-(4-methylphenyl)-1,3-thiazol-5-yl]propan-2-ol?
The InChIKey is YKDIBQCAKRFRKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NOS/c1-9-3-5-11(6-4-9)13-14-8-12(16-13)7-10(2)15/h3-6,8,10,15H,7H2,1-2H3.
What are the key properties of 1-[2-(4-methylphenyl)-1,3-thiazol-5-yl]propan-2-ol?
1-[2-(4-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-(4-methylphenyl)-1,3-thiazol-5-yl]propan-2-ol is sourced from PubChem (CID 115091903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).