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

C13H15NOS2 — CID 116966681

IUPAC2-[4-(4-methylsulfanylphenyl)-1,3-thiazol-2-yl]propan-2-ol
SMILESCSc1ccc(-c2csc(C(C)(C)O)n2)cc1
InChIInChI=1S/C13H15NOS2/c1-13(2,15)12-14-11(8-17-12)9-4-6-10(16-3)7-5-9/h4-8,15H,1-3H3
InChIKeyXXFYVTRPFFMZGT-UHFFFAOYSA-N
MW265.40 g/mol
LogP3.76
Rot. Bonds3

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

2-[4-(4-methylsulfanylphenyl)-1,3-thiazol-2-yl]propan-2-ol (PubChem CID 116966681) has the molecular formula C13H15NOS2 and a molecular weight of 265.40 g/mol. Its IUPAC name is 2-[4-(4-methylsulfanylphenyl)-1,3-thiazol-2-yl]propan-2-ol.

Molecular Properties

Compound Name2-[4-(4-methylsulfanylphenyl)-1,3-thiazol-2-yl]propan-2-ol
PubChem CID116966681
Molecular FormulaC13H15NOS2
Molecular Weight265.40 g/mol
Exact Mass265.06
IUPAC Name2-[4-(4-methylsulfanylphenyl)-1,3-thiazol-2-yl]propan-2-ol
SMILESCSc1ccc(-c2csc(C(C)(C)O)n2)cc1
InChIInChI=1S/C13H15NOS2/c1-13(2,15)12-14-11(8-17-12)9-4-6-10(16-3)7-5-9/h4-8,15H,1-3H3
InChIKeyXXFYVTRPFFMZGT-UHFFFAOYSA-N
XLogP3.76
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-methylsulfanylphenyl)-1,3-thiazol-2-yl]propan-2-ol?
The IUPAC name of 2-[4-(4-methylsulfanylphenyl)-1,3-thiazol-2-yl]propan-2-ol (CID 116966681) is 2-[4-(4-methylsulfanylphenyl)-1,3-thiazol-2-yl]propan-2-ol.
What is the SMILES notation for 2-[4-(4-methylsulfanylphenyl)-1,3-thiazol-2-yl]propan-2-ol?
The canonical SMILES for 2-[4-(4-methylsulfanylphenyl)-1,3-thiazol-2-yl]propan-2-ol is CSc1ccc(-c2csc(C(C)(C)O)n2)cc1.
What is the InChIKey of 2-[4-(4-methylsulfanylphenyl)-1,3-thiazol-2-yl]propan-2-ol?
The InChIKey is XXFYVTRPFFMZGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NOS2/c1-13(2,15)12-14-11(8-17-12)9-4-6-10(16-3)7-5-9/h4-8,15H,1-3H3.
What are the key properties of 2-[4-(4-methylsulfanylphenyl)-1,3-thiazol-2-yl]propan-2-ol?
2-[4-(4-methylsulfanylphenyl)-1,3-thiazol-2-yl]propan-2-ol has a molecular weight of 265.40 g/mol, XLogP of 3.76, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-methylsulfanylphenyl)-1,3-thiazol-2-yl]propan-2-ol is sourced from PubChem (CID 116966681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).