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

C13H15NOS — CID 116966687

IUPAC2-[4-(2-methylphenyl)-1,3-thiazol-2-yl]propan-2-ol
SMILESCc1ccccc1-c1csc(C(C)(C)O)n1
InChIInChI=1S/C13H15NOS/c1-9-6-4-5-7-10(9)11-8-16-12(14-11)13(2,3)15/h4-8,15H,1-3H3
InChIKeyQICRYIPFQSOEME-UHFFFAOYSA-N
MW233.34 g/mol
LogP3.35
Rot. Bonds2

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

2-[4-(2-methylphenyl)-1,3-thiazol-2-yl]propan-2-ol (PubChem CID 116966687) has the molecular formula C13H15NOS and a molecular weight of 233.34 g/mol. Its IUPAC name is 2-[4-(2-methylphenyl)-1,3-thiazol-2-yl]propan-2-ol.

Molecular Properties

Compound Name2-[4-(2-methylphenyl)-1,3-thiazol-2-yl]propan-2-ol
PubChem CID116966687
Molecular FormulaC13H15NOS
Molecular Weight233.34 g/mol
Exact Mass233.09
IUPAC Name2-[4-(2-methylphenyl)-1,3-thiazol-2-yl]propan-2-ol
SMILESCc1ccccc1-c1csc(C(C)(C)O)n1
InChIInChI=1S/C13H15NOS/c1-9-6-4-5-7-10(9)11-8-16-12(14-11)13(2,3)15/h4-8,15H,1-3H3
InChIKeyQICRYIPFQSOEME-UHFFFAOYSA-N
XLogP3.35
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.34
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-methylphenyl)-1,3-thiazol-2-yl]propan-2-ol?
The IUPAC name of 2-[4-(2-methylphenyl)-1,3-thiazol-2-yl]propan-2-ol (CID 116966687) is 2-[4-(2-methylphenyl)-1,3-thiazol-2-yl]propan-2-ol.
What is the SMILES notation for 2-[4-(2-methylphenyl)-1,3-thiazol-2-yl]propan-2-ol?
The canonical SMILES for 2-[4-(2-methylphenyl)-1,3-thiazol-2-yl]propan-2-ol is Cc1ccccc1-c1csc(C(C)(C)O)n1.
What is the InChIKey of 2-[4-(2-methylphenyl)-1,3-thiazol-2-yl]propan-2-ol?
The InChIKey is QICRYIPFQSOEME-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NOS/c1-9-6-4-5-7-10(9)11-8-16-12(14-11)13(2,3)15/h4-8,15H,1-3H3.
What are the key properties of 2-[4-(2-methylphenyl)-1,3-thiazol-2-yl]propan-2-ol?
2-[4-(2-methylphenyl)-1,3-thiazol-2-yl]propan-2-ol has a molecular weight of 233.34 g/mol, XLogP of 3.35, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-methylphenyl)-1,3-thiazol-2-yl]propan-2-ol is sourced from PubChem (CID 116966687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).