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

C17H23NOS — CID 82427139

IUPAC2-[2-(4-tert-butylphenyl)-4-methyl-1,3-thiazol-5-yl]propan-2-ol
SMILESCc1nc(-c2ccc(C(C)(C)C)cc2)sc1C(C)(C)O
InChIInChI=1S/C17H23NOS/c1-11-14(17(5,6)19)20-15(18-11)12-7-9-13(10-8-12)16(2,3)4/h7-10,19H,1-6H3
InChIKeyCMMSCTAZILXXBX-UHFFFAOYSA-N
MW289.44 g/mol
LogP4.64
Rot. Bonds2

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

2-[2-(4-tert-butylphenyl)-4-methyl-1,3-thiazol-5-yl]propan-2-ol (PubChem CID 82427139) has the molecular formula C17H23NOS and a molecular weight of 289.44 g/mol. Its IUPAC name is 2-[2-(4-tert-butylphenyl)-4-methyl-1,3-thiazol-5-yl]propan-2-ol.

Molecular Properties

Compound Name2-[2-(4-tert-butylphenyl)-4-methyl-1,3-thiazol-5-yl]propan-2-ol
PubChem CID82427139
Molecular FormulaC17H23NOS
Molecular Weight289.44 g/mol
Exact Mass289.15
IUPAC Name2-[2-(4-tert-butylphenyl)-4-methyl-1,3-thiazol-5-yl]propan-2-ol
SMILESCc1nc(-c2ccc(C(C)(C)C)cc2)sc1C(C)(C)O
InChIInChI=1S/C17H23NOS/c1-11-14(17(5,6)19)20-15(18-11)12-7-9-13(10-8-12)16(2,3)4/h7-10,19H,1-6H3
InChIKeyCMMSCTAZILXXBX-UHFFFAOYSA-N
XLogP4.64
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.44
LogP ≤ 54.64
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]propan-2-ol?
The IUPAC name of 2-[2-(4-tert-butylphenyl)-4-methyl-1,3-thiazol-5-yl]propan-2-ol (CID 82427139) is 2-[2-(4-tert-butylphenyl)-4-methyl-1,3-thiazol-5-yl]propan-2-ol.
What is the SMILES notation for 2-[2-(4-tert-butylphenyl)-4-methyl-1,3-thiazol-5-yl]propan-2-ol?
The canonical SMILES for 2-[2-(4-tert-butylphenyl)-4-methyl-1,3-thiazol-5-yl]propan-2-ol is Cc1nc(-c2ccc(C(C)(C)C)cc2)sc1C(C)(C)O.
What is the InChIKey of 2-[2-(4-tert-butylphenyl)-4-methyl-1,3-thiazol-5-yl]propan-2-ol?
The InChIKey is CMMSCTAZILXXBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NOS/c1-11-14(17(5,6)19)20-15(18-11)12-7-9-13(10-8-12)16(2,3)4/h7-10,19H,1-6H3.
What are the key properties of 2-[2-(4-tert-butylphenyl)-4-methyl-1,3-thiazol-5-yl]propan-2-ol?
2-[2-(4-tert-butylphenyl)-4-methyl-1,3-thiazol-5-yl]propan-2-ol has a molecular weight of 289.44 g/mol, XLogP of 4.64, 2 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]propan-2-ol is sourced from PubChem (CID 82427139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).