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

C16H21NOS — CID 82093697

IUPAC2-[2-(4-tert-butylphenyl)-4-methyl-1,3-thiazol-5-yl]ethanol
SMILESCc1nc(-c2ccc(C(C)(C)C)cc2)sc1CCO
InChIInChI=1S/C16H21NOS/c1-11-14(9-10-18)19-15(17-11)12-5-7-13(8-6-12)16(2,3)4/h5-8,18H,9-10H2,1-4H3
InChIKeyFLMBPCXQLKBVBC-UHFFFAOYSA-N
MW275.42 g/mol
LogP3.95
Rot. Bonds3

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

2-[2-(4-tert-butylphenyl)-4-methyl-1,3-thiazol-5-yl]ethanol (PubChem CID 82093697) has the molecular formula C16H21NOS and a molecular weight of 275.42 g/mol. Its IUPAC name is 2-[2-(4-tert-butylphenyl)-4-methyl-1,3-thiazol-5-yl]ethanol.

Molecular Properties

Compound Name2-[2-(4-tert-butylphenyl)-4-methyl-1,3-thiazol-5-yl]ethanol
PubChem CID82093697
Molecular FormulaC16H21NOS
Molecular Weight275.42 g/mol
Exact Mass275.13
IUPAC Name2-[2-(4-tert-butylphenyl)-4-methyl-1,3-thiazol-5-yl]ethanol
SMILESCc1nc(-c2ccc(C(C)(C)C)cc2)sc1CCO
InChIInChI=1S/C16H21NOS/c1-11-14(9-10-18)19-15(17-11)12-5-7-13(8-6-12)16(2,3)4/h5-8,18H,9-10H2,1-4H3
InChIKeyFLMBPCXQLKBVBC-UHFFFAOYSA-N
XLogP3.95
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.42
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-tert-butylphenyl)-4-methyl-1,3-thiazol-5-yl]ethanol?
The IUPAC name of 2-[2-(4-tert-butylphenyl)-4-methyl-1,3-thiazol-5-yl]ethanol (CID 82093697) is 2-[2-(4-tert-butylphenyl)-4-methyl-1,3-thiazol-5-yl]ethanol.
What is the SMILES notation for 2-[2-(4-tert-butylphenyl)-4-methyl-1,3-thiazol-5-yl]ethanol?
The canonical SMILES for 2-[2-(4-tert-butylphenyl)-4-methyl-1,3-thiazol-5-yl]ethanol is Cc1nc(-c2ccc(C(C)(C)C)cc2)sc1CCO.
What is the InChIKey of 2-[2-(4-tert-butylphenyl)-4-methyl-1,3-thiazol-5-yl]ethanol?
The InChIKey is FLMBPCXQLKBVBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NOS/c1-11-14(9-10-18)19-15(17-11)12-5-7-13(8-6-12)16(2,3)4/h5-8,18H,9-10H2,1-4H3.
What are the key properties of 2-[2-(4-tert-butylphenyl)-4-methyl-1,3-thiazol-5-yl]ethanol?
2-[2-(4-tert-butylphenyl)-4-methyl-1,3-thiazol-5-yl]ethanol has a molecular weight of 275.42 g/mol, XLogP of 3.95, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-tert-butylphenyl)-4-methyl-1,3-thiazol-5-yl]ethanol is sourced from PubChem (CID 82093697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).