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

C15H19NOS — CID 113472332

IUPAC1-(2-methyl-1,3-thiazol-4-yl)-2-(4-propan-2-ylphenyl)ethanol
SMILESCc1nc(C(O)Cc2ccc(C(C)C)cc2)cs1
InChIInChI=1S/C15H19NOS/c1-10(2)13-6-4-12(5-7-13)8-15(17)14-9-18-11(3)16-14/h4-7,9-10,15,17H,8H2,1-3H3
InChIKeyKLRJDHZPNZUCMK-UHFFFAOYSA-N
MW261.39 g/mol
LogP3.85
Rot. Bonds4

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

1-(2-methyl-1,3-thiazol-4-yl)-2-(4-propan-2-ylphenyl)ethanol (PubChem CID 113472332) has the molecular formula C15H19NOS and a molecular weight of 261.39 g/mol. Its IUPAC name is 1-(2-methyl-1,3-thiazol-4-yl)-2-(4-propan-2-ylphenyl)ethanol.

Molecular Properties

Compound Name1-(2-methyl-1,3-thiazol-4-yl)-2-(4-propan-2-ylphenyl)ethanol
PubChem CID113472332
Molecular FormulaC15H19NOS
Molecular Weight261.39 g/mol
Exact Mass261.12
IUPAC Name1-(2-methyl-1,3-thiazol-4-yl)-2-(4-propan-2-ylphenyl)ethanol
SMILESCc1nc(C(O)Cc2ccc(C(C)C)cc2)cs1
InChIInChI=1S/C15H19NOS/c1-10(2)13-6-4-12(5-7-13)8-15(17)14-9-18-11(3)16-14/h4-7,9-10,15,17H,8H2,1-3H3
InChIKeyKLRJDHZPNZUCMK-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-(4-methyl-1,3-thiazol-2-yl)-2-(4-propan-2-ylphenyl)ethanol
CID 113451251
(1R)-2-amino-1-(2-methyl-1,3-thiazol-4-yl)ethanol
CID 28819519
N-methyl-1-(2-methyl-1,3-thiazol-4-yl)-3-(4-propan-2-ylphenyl)propan-2-amine
CID 62799687
2-(cyclopenten-1-yl)-1-(2-methyl-1,3-thiazol-4-yl)ethanol
CID 131001076
2-methyl-4-[[(R)-(4-propan-2-ylphenyl)methylsulfinyl]methyl]-1,3-thiazole
CID 95318879
1-(4-chlorophenyl)-2-(2-methyl-1,3-thiazol-4-yl)ethanol
CID 62799150
1-(4-aminophenyl)-2-(2-methyl-1,3-thiazol-4-yl)ethanol
CID 106695570
(1R,2S)-1-amino-1-(2-methyl-1,3-thiazol-4-yl)propan-2-ol
CID 124505318
2-(4-chlorophenyl)-1-(4-propan-2-ylphenyl)ethanol
CID 60797871
1-(4-aminophenyl)-2-(4-propan-2-ylphenyl)ethanol
CID 106695441
4-methyl-1-(2-methyl-1,3-thiazol-4-yl)pent-4-en-1-ol
CID 105127443
2-iodo-2-(2-methyl-1,3-thiazol-4-yl)ethanol
CID 137495706

Frequently Asked Questions

What is the IUPAC name of 1-(2-methyl-1,3-thiazol-4-yl)-2-(4-propan-2-ylphenyl)ethanol?
The IUPAC name of 1-(2-methyl-1,3-thiazol-4-yl)-2-(4-propan-2-ylphenyl)ethanol (CID 113472332) is 1-(2-methyl-1,3-thiazol-4-yl)-2-(4-propan-2-ylphenyl)ethanol.
What is the SMILES notation for 1-(2-methyl-1,3-thiazol-4-yl)-2-(4-propan-2-ylphenyl)ethanol?
The canonical SMILES for 1-(2-methyl-1,3-thiazol-4-yl)-2-(4-propan-2-ylphenyl)ethanol is Cc1nc(C(O)Cc2ccc(C(C)C)cc2)cs1.
What is the InChIKey of 1-(2-methyl-1,3-thiazol-4-yl)-2-(4-propan-2-ylphenyl)ethanol?
The InChIKey is KLRJDHZPNZUCMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NOS/c1-10(2)13-6-4-12(5-7-13)8-15(17)14-9-18-11(3)16-14/h4-7,9-10,15,17H,8H2,1-3H3.
What are the key properties of 1-(2-methyl-1,3-thiazol-4-yl)-2-(4-propan-2-ylphenyl)ethanol?
1-(2-methyl-1,3-thiazol-4-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-(2-methyl-1,3-thiazol-4-yl)-2-(4-propan-2-ylphenyl)ethanol is sourced from PubChem (CID 113472332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).