(S)-(4-propan-2-ylphenyl)-(1,2-thiazol-5-yl)methanol

C13H15NOS — CID 129490989

IUPAC(S)-(4-propan-2-ylphenyl)-(1,2-thiazol-5-yl)methanol
SMILESCC(C)c1ccc([C@H](O)c2ccns2)cc1
InChIInChI=1S/C13H15NOS/c1-9(2)10-3-5-11(6-4-10)13(15)12-7-8-14-16-12/h3-9,13,15H,1-2H3/t13-/m0/s1
InChIKeyKGXBDGHOZIIRJK-ZDUSSCGKSA-N
MW233.34 g/mol
LogP3.35
Rot. Bonds3

About (S)-(4-propan-2-ylphenyl)-(1,2-thiazol-5-yl)methanol

(S)-(4-propan-2-ylphenyl)-(1,2-thiazol-5-yl)methanol (PubChem CID 129490989) has the molecular formula C13H15NOS and a molecular weight of 233.34 g/mol. Its IUPAC name is (S)-(4-propan-2-ylphenyl)-(1,2-thiazol-5-yl)methanol.

Molecular Properties

Compound Name(S)-(4-propan-2-ylphenyl)-(1,2-thiazol-5-yl)methanol
PubChem CID129490989
Molecular FormulaC13H15NOS
Molecular Weight233.34 g/mol
Exact Mass233.09
IUPAC Name(S)-(4-propan-2-ylphenyl)-(1,2-thiazol-5-yl)methanol
SMILESCC(C)c1ccc([C@H](O)c2ccns2)cc1
InChIInChI=1S/C13H15NOS/c1-9(2)10-3-5-11(6-4-10)13(15)12-7-8-14-16-12/h3-9,13,15H,1-2H3/t13-/m0/s1
InChIKeyKGXBDGHOZIIRJK-ZDUSSCGKSA-N
XLogP3.35
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 ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (S)-(4-propan-2-ylphenyl)-(1,2-thiazol-5-yl)methanol?
The IUPAC name of (S)-(4-propan-2-ylphenyl)-(1,2-thiazol-5-yl)methanol (CID 129490989) is (S)-(4-propan-2-ylphenyl)-(1,2-thiazol-5-yl)methanol.
What is the SMILES notation for (S)-(4-propan-2-ylphenyl)-(1,2-thiazol-5-yl)methanol?
The canonical SMILES for (S)-(4-propan-2-ylphenyl)-(1,2-thiazol-5-yl)methanol is CC(C)c1ccc([C@H](O)c2ccns2)cc1.
What is the InChIKey of (S)-(4-propan-2-ylphenyl)-(1,2-thiazol-5-yl)methanol?
The InChIKey is KGXBDGHOZIIRJK-ZDUSSCGKSA-N. The full InChI is InChI=1S/C13H15NOS/c1-9(2)10-3-5-11(6-4-10)13(15)12-7-8-14-16-12/h3-9,13,15H,1-2H3/t13-/m0/s1.
What are the key properties of (S)-(4-propan-2-ylphenyl)-(1,2-thiazol-5-yl)methanol?
(S)-(4-propan-2-ylphenyl)-(1,2-thiazol-5-yl)methanol has a molecular weight of 233.34 g/mol, XLogP of 3.35, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-(4-propan-2-ylphenyl)-(1,2-thiazol-5-yl)methanol is sourced from PubChem (CID 129490989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).