1-[5-(4-tert-butylphenyl)-4-methyl-1,3-thiazol-2-yl]ethanol

C16H21NOS — CID 138725744

IUPAC1-[5-(4-tert-butylphenyl)-4-methyl-1,3-thiazol-2-yl]ethanol
SMILESCc1nc(C(C)O)sc1-c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C16H21NOS/c1-10-14(19-15(17-10)11(2)18)12-6-8-13(9-7-12)16(3,4)5/h6-9,11,18H,1-5H3
InChIKeyWLOJAZBSLWFUOM-UHFFFAOYSA-N
MW275.42 g/mol
LogP4.47
Rot. Bonds2

About 1-[5-(4-tert-butylphenyl)-4-methyl-1,3-thiazol-2-yl]ethanol

1-[5-(4-tert-butylphenyl)-4-methyl-1,3-thiazol-2-yl]ethanol (PubChem CID 138725744) has the molecular formula C16H21NOS and a molecular weight of 275.42 g/mol. Its IUPAC name is 1-[5-(4-tert-butylphenyl)-4-methyl-1,3-thiazol-2-yl]ethanol.

Molecular Properties

Compound Name1-[5-(4-tert-butylphenyl)-4-methyl-1,3-thiazol-2-yl]ethanol
PubChem CID138725744
Molecular FormulaC16H21NOS
Molecular Weight275.42 g/mol
Exact Mass275.13
IUPAC Name1-[5-(4-tert-butylphenyl)-4-methyl-1,3-thiazol-2-yl]ethanol
SMILESCc1nc(C(C)O)sc1-c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C16H21NOS/c1-10-14(19-15(17-10)11(2)18)12-6-8-13(9-7-12)16(3,4)5/h6-9,11,18H,1-5H3
InChIKeyWLOJAZBSLWFUOM-UHFFFAOYSA-N
XLogP4.47
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.42
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(4-tert-butylphenyl)-4-methyl-1,3-thiazol-2-yl]ethanol?
The IUPAC name of 1-[5-(4-tert-butylphenyl)-4-methyl-1,3-thiazol-2-yl]ethanol (CID 138725744) is 1-[5-(4-tert-butylphenyl)-4-methyl-1,3-thiazol-2-yl]ethanol.
What is the SMILES notation for 1-[5-(4-tert-butylphenyl)-4-methyl-1,3-thiazol-2-yl]ethanol?
The canonical SMILES for 1-[5-(4-tert-butylphenyl)-4-methyl-1,3-thiazol-2-yl]ethanol is Cc1nc(C(C)O)sc1-c1ccc(C(C)(C)C)cc1.
What is the InChIKey of 1-[5-(4-tert-butylphenyl)-4-methyl-1,3-thiazol-2-yl]ethanol?
The InChIKey is WLOJAZBSLWFUOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NOS/c1-10-14(19-15(17-10)11(2)18)12-6-8-13(9-7-12)16(3,4)5/h6-9,11,18H,1-5H3.
What are the key properties of 1-[5-(4-tert-butylphenyl)-4-methyl-1,3-thiazol-2-yl]ethanol?
1-[5-(4-tert-butylphenyl)-4-methyl-1,3-thiazol-2-yl]ethanol has a molecular weight of 275.42 g/mol, XLogP of 4.47, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(4-tert-butylphenyl)-4-methyl-1,3-thiazol-2-yl]ethanol is sourced from PubChem (CID 138725744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).