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

C13H15NOS — CID 134975462

IUPAC(4-propan-2-ylphenyl)-(1,2-thiazol-5-yl)methanol
SMILESCC(C)c1ccc(C(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
InChIKeyKGXBDGHOZIIRJK-UHFFFAOYSA-N
MW233.34 g/mol
LogP3.35
Rot. Bonds3

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

(4-propan-2-ylphenyl)-(1,2-thiazol-5-yl)methanol (PubChem CID 134975462) has the molecular formula C13H15NOS and a molecular weight of 233.34 g/mol. Its IUPAC name is (4-propan-2-ylphenyl)-(1,2-thiazol-5-yl)methanol.

Molecular Properties

Compound Name(4-propan-2-ylphenyl)-(1,2-thiazol-5-yl)methanol
PubChem CID134975462
Molecular FormulaC13H15NOS
Molecular Weight233.34 g/mol
Exact Mass233.09
IUPAC Name(4-propan-2-ylphenyl)-(1,2-thiazol-5-yl)methanol
SMILESCC(C)c1ccc(C(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
InChIKeyKGXBDGHOZIIRJK-UHFFFAOYSA-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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Related Compounds

(4-Fluorophenyl)-(3-methyl-1,2-thiazol-5-yl)methanol
CID 119094110
5-[3-(2-Methoxyethyl)phenyl]-1,2-thiazole
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[4-(3-Cyclobutylphenyl)-1,2-thiazol-5-yl]methanol
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(2,4-Difluorophenyl)-phenyl-(1,2-thiazol-5-yl)methanol
CID 20253738
(2-Fluoro-5-iodophenyl)-(1,2-thiazol-5-yl)methanol
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(2-Fluoro-5-methylphenyl)-(1,2-thiazol-5-yl)methanol
CID 143918348
1-[4-[5-(Trifluoromethyl)-1,2-thiazol-3-yl]phenyl]ethanol
CID 152078970
(3-Methyl-1,2-thiazol-5-yl)-phenylmethanol
CID 91620842
(4-Chlorophenyl)-(1,2-thiazol-5-yl)methanol
CID 119087694
(4-Methylphenyl)-(1,2-thiazol-5-yl)methanol
CID 119094111
(3-Chlorophenyl)-(1,2-thiazol-5-yl)methanol
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(4-Fluorophenyl)(isothiazol-5-yl)methanol
CID 45158862

Frequently Asked Questions

What is the IUPAC name of (4-propan-2-ylphenyl)-(1,2-thiazol-5-yl)methanol?
The IUPAC name of (4-propan-2-ylphenyl)-(1,2-thiazol-5-yl)methanol (CID 134975462) is (4-propan-2-ylphenyl)-(1,2-thiazol-5-yl)methanol.
What is the SMILES notation for (4-propan-2-ylphenyl)-(1,2-thiazol-5-yl)methanol?
The canonical SMILES for (4-propan-2-ylphenyl)-(1,2-thiazol-5-yl)methanol is CC(C)c1ccc(C(O)c2ccns2)cc1.
What is the InChIKey of (4-propan-2-ylphenyl)-(1,2-thiazol-5-yl)methanol?
The InChIKey is KGXBDGHOZIIRJK-UHFFFAOYSA-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.
What are the key properties of (4-propan-2-ylphenyl)-(1,2-thiazol-5-yl)methanol?
(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 (4-propan-2-ylphenyl)-(1,2-thiazol-5-yl)methanol is sourced from PubChem (CID 134975462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).