2-[2-(4-tert-butylphenyl)-4-ethyl-1,3-thiazol-5-yl]propan-2-ol

C18H25NOS — CID 82430134

IUPAC2-[2-(4-tert-butylphenyl)-4-ethyl-1,3-thiazol-5-yl]propan-2-ol
SMILESCCc1nc(-c2ccc(C(C)(C)C)cc2)sc1C(C)(C)O
InChIInChI=1S/C18H25NOS/c1-7-14-15(18(5,6)20)21-16(19-14)12-8-10-13(11-9-12)17(2,3)4/h8-11,20H,7H2,1-6H3
InChIKeyXDOGTFRORNHESP-UHFFFAOYSA-N
MW303.47 g/mol
LogP4.90
Rot. Bonds3

About 2-[2-(4-tert-butylphenyl)-4-ethyl-1,3-thiazol-5-yl]propan-2-ol

2-[2-(4-tert-butylphenyl)-4-ethyl-1,3-thiazol-5-yl]propan-2-ol (PubChem CID 82430134) has the molecular formula C18H25NOS and a molecular weight of 303.47 g/mol. Its IUPAC name is 2-[2-(4-tert-butylphenyl)-4-ethyl-1,3-thiazol-5-yl]propan-2-ol.

Molecular Properties

Compound Name2-[2-(4-tert-butylphenyl)-4-ethyl-1,3-thiazol-5-yl]propan-2-ol
PubChem CID82430134
Molecular FormulaC18H25NOS
Molecular Weight303.47 g/mol
Exact Mass303.17
IUPAC Name2-[2-(4-tert-butylphenyl)-4-ethyl-1,3-thiazol-5-yl]propan-2-ol
SMILESCCc1nc(-c2ccc(C(C)(C)C)cc2)sc1C(C)(C)O
InChIInChI=1S/C18H25NOS/c1-7-14-15(18(5,6)20)21-16(19-14)12-8-10-13(11-9-12)17(2,3)4/h8-11,20H,7H2,1-6H3
InChIKeyXDOGTFRORNHESP-UHFFFAOYSA-N
XLogP4.90
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.47
LogP ≤ 54.90
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-ethyl-1,3-thiazol-5-yl]propan-2-ol?
The IUPAC name of 2-[2-(4-tert-butylphenyl)-4-ethyl-1,3-thiazol-5-yl]propan-2-ol (CID 82430134) is 2-[2-(4-tert-butylphenyl)-4-ethyl-1,3-thiazol-5-yl]propan-2-ol.
What is the SMILES notation for 2-[2-(4-tert-butylphenyl)-4-ethyl-1,3-thiazol-5-yl]propan-2-ol?
The canonical SMILES for 2-[2-(4-tert-butylphenyl)-4-ethyl-1,3-thiazol-5-yl]propan-2-ol is CCc1nc(-c2ccc(C(C)(C)C)cc2)sc1C(C)(C)O.
What is the InChIKey of 2-[2-(4-tert-butylphenyl)-4-ethyl-1,3-thiazol-5-yl]propan-2-ol?
The InChIKey is XDOGTFRORNHESP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NOS/c1-7-14-15(18(5,6)20)21-16(19-14)12-8-10-13(11-9-12)17(2,3)4/h8-11,20H,7H2,1-6H3.
What are the key properties of 2-[2-(4-tert-butylphenyl)-4-ethyl-1,3-thiazol-5-yl]propan-2-ol?
2-[2-(4-tert-butylphenyl)-4-ethyl-1,3-thiazol-5-yl]propan-2-ol has a molecular weight of 303.47 g/mol, XLogP of 4.90, 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-ethyl-1,3-thiazol-5-yl]propan-2-ol is sourced from PubChem (CID 82430134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).