1-(4-methyl-1,3-thiazol-2-yl)-2-(4-propan-2-ylphenyl)ethanol

C15H19NOS — CID 113451251

IUPAC1-(4-methyl-1,3-thiazol-2-yl)-2-(4-propan-2-ylphenyl)ethanol
SMILESCc1csc(C(O)Cc2ccc(C(C)C)cc2)n1
InChIInChI=1S/C15H19NOS/c1-10(2)13-6-4-12(5-7-13)8-14(17)15-16-11(3)9-18-15/h4-7,9-10,14,17H,8H2,1-3H3
InChIKeyPJVVZSVBMKQUGL-UHFFFAOYSA-N
MW261.39 g/mol
LogP3.85
Rot. Bonds4

About 1-(4-methyl-1,3-thiazol-2-yl)-2-(4-propan-2-ylphenyl)ethanol

1-(4-methyl-1,3-thiazol-2-yl)-2-(4-propan-2-ylphenyl)ethanol (PubChem CID 113451251) has the molecular formula C15H19NOS and a molecular weight of 261.39 g/mol. Its IUPAC name is 1-(4-methyl-1,3-thiazol-2-yl)-2-(4-propan-2-ylphenyl)ethanol.

Molecular Properties

Compound Name1-(4-methyl-1,3-thiazol-2-yl)-2-(4-propan-2-ylphenyl)ethanol
PubChem CID113451251
Molecular FormulaC15H19NOS
Molecular Weight261.39 g/mol
Exact Mass261.12
IUPAC Name1-(4-methyl-1,3-thiazol-2-yl)-2-(4-propan-2-ylphenyl)ethanol
SMILESCc1csc(C(O)Cc2ccc(C(C)C)cc2)n1
InChIInChI=1S/C15H19NOS/c1-10(2)13-6-4-12(5-7-13)8-14(17)15-16-11(3)9-18-15/h4-7,9-10,14,17H,8H2,1-3H3
InChIKeyPJVVZSVBMKQUGL-UHFFFAOYSA-N
XLogP3.85
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.39
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-methyl-1,3-thiazol-4-yl)-2-(4-propan-2-ylphenyl)ethanol
CID 113472332
(1R)-1-(4-methyl-1,3-thiazol-2-yl)propan-1-ol
CID 124594880
2-amino-1-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]ethanol
CID 116966807
2-(3-bromothiophen-2-yl)-1-(4-methyl-1,3-thiazol-2-yl)ethanol
CID 104769527
2-(4-chloro-2-fluorophenyl)-1-(4-methyl-1,3-thiazol-2-yl)ethanol
CID 114852713
3-methyl-1-(4-methyl-1,3-thiazol-2-yl)pentan-1-ol
CID 104769377
4-methyl-2-(1-phenylpropan-2-yl)-1,3-thiazole
CID 21365787
2-(4-bromothiophen-2-yl)-1-(4-methyl-1,3-thiazol-2-yl)ethanol
CID 104769420
2-(1-ethylpyrazol-4-yl)-1-(4-methyl-1,3-thiazol-2-yl)ethanol
CID 104769635
1-(4-methyl-1,3-thiazol-2-yl)-3-(4-propan-2-ylphenyl)propan-2-one
CID 62794962
1-(4-methyl-1,3-thiazol-2-yl)hexan-1-ol
CID 104769495
2-(2-bromo-5-fluorophenyl)-1-(4-methyl-1,3-thiazol-2-yl)ethanol
CID 113451254

Frequently Asked Questions

What is the IUPAC name of 1-(4-methyl-1,3-thiazol-2-yl)-2-(4-propan-2-ylphenyl)ethanol?
The IUPAC name of 1-(4-methyl-1,3-thiazol-2-yl)-2-(4-propan-2-ylphenyl)ethanol (CID 113451251) is 1-(4-methyl-1,3-thiazol-2-yl)-2-(4-propan-2-ylphenyl)ethanol.
What is the SMILES notation for 1-(4-methyl-1,3-thiazol-2-yl)-2-(4-propan-2-ylphenyl)ethanol?
The canonical SMILES for 1-(4-methyl-1,3-thiazol-2-yl)-2-(4-propan-2-ylphenyl)ethanol is Cc1csc(C(O)Cc2ccc(C(C)C)cc2)n1.
What is the InChIKey of 1-(4-methyl-1,3-thiazol-2-yl)-2-(4-propan-2-ylphenyl)ethanol?
The InChIKey is PJVVZSVBMKQUGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NOS/c1-10(2)13-6-4-12(5-7-13)8-14(17)15-16-11(3)9-18-15/h4-7,9-10,14,17H,8H2,1-3H3.
What are the key properties of 1-(4-methyl-1,3-thiazol-2-yl)-2-(4-propan-2-ylphenyl)ethanol?
1-(4-methyl-1,3-thiazol-2-yl)-2-(4-propan-2-ylphenyl)ethanol has a molecular weight of 261.39 g/mol, XLogP of 3.85, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methyl-1,3-thiazol-2-yl)-2-(4-propan-2-ylphenyl)ethanol is sourced from PubChem (CID 113451251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).