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

C14H17NOS — CID 79823757

IUPAC2-(2,5-dimethylphenyl)-1-(1,3-thiazol-2-yl)propan-2-ol
SMILESCc1ccc(C)c(C(C)(O)Cc2nccs2)c1
InChIInChI=1S/C14H17NOS/c1-10-4-5-11(2)12(8-10)14(3,16)9-13-15-6-7-17-13/h4-8,16H,9H2,1-3H3
InChIKeyTWNFMJRORMJBAQ-UHFFFAOYSA-N
MW247.36 g/mol
LogP3.21
Rot. Bonds3

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

2-(2,5-dimethylphenyl)-1-(1,3-thiazol-2-yl)propan-2-ol (PubChem CID 79823757) has the molecular formula C14H17NOS and a molecular weight of 247.36 g/mol. Its IUPAC name is 2-(2,5-dimethylphenyl)-1-(1,3-thiazol-2-yl)propan-2-ol.

Molecular Properties

Compound Name2-(2,5-dimethylphenyl)-1-(1,3-thiazol-2-yl)propan-2-ol
PubChem CID79823757
Molecular FormulaC14H17NOS
Molecular Weight247.36 g/mol
Exact Mass247.10
IUPAC Name2-(2,5-dimethylphenyl)-1-(1,3-thiazol-2-yl)propan-2-ol
SMILESCc1ccc(C)c(C(C)(O)Cc2nccs2)c1
InChIInChI=1S/C14H17NOS/c1-10-4-5-11(2)12(8-10)14(3,16)9-13-15-6-7-17-13/h4-8,16H,9H2,1-3H3
InChIKeyTWNFMJRORMJBAQ-UHFFFAOYSA-N
XLogP3.21
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.36
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylphenyl)-1-(1,3-thiazol-2-yl)propan-2-ol?
The IUPAC name of 2-(2,5-dimethylphenyl)-1-(1,3-thiazol-2-yl)propan-2-ol (CID 79823757) is 2-(2,5-dimethylphenyl)-1-(1,3-thiazol-2-yl)propan-2-ol.
What is the SMILES notation for 2-(2,5-dimethylphenyl)-1-(1,3-thiazol-2-yl)propan-2-ol?
The canonical SMILES for 2-(2,5-dimethylphenyl)-1-(1,3-thiazol-2-yl)propan-2-ol is Cc1ccc(C)c(C(C)(O)Cc2nccs2)c1.
What is the InChIKey of 2-(2,5-dimethylphenyl)-1-(1,3-thiazol-2-yl)propan-2-ol?
The InChIKey is TWNFMJRORMJBAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NOS/c1-10-4-5-11(2)12(8-10)14(3,16)9-13-15-6-7-17-13/h4-8,16H,9H2,1-3H3.
What are the key properties of 2-(2,5-dimethylphenyl)-1-(1,3-thiazol-2-yl)propan-2-ol?
2-(2,5-dimethylphenyl)-1-(1,3-thiazol-2-yl)propan-2-ol has a molecular weight of 247.36 g/mol, XLogP of 3.21, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethylphenyl)-1-(1,3-thiazol-2-yl)propan-2-ol is sourced from PubChem (CID 79823757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).