2-[3-[4-(2-methylpropyl)phenyl]propyl]-5-phenyl-1,3-thiazol-4-ol

C22H25NOS — CID 67921141

IUPAC2-[3-[4-(2-methylpropyl)phenyl]propyl]-5-phenyl-1,3-thiazol-4-ol
SMILESCC(C)Cc1ccc(CCCc2nc(O)c(-c3ccccc3)s2)cc1
InChIInChI=1S/C22H25NOS/c1-16(2)15-18-13-11-17(12-14-18)7-6-10-20-23-22(24)21(25-20)19-8-4-3-5-9-19/h3-5,8-9,11-14,16,24H,6-7,10,15H2,1-2H3
InChIKeyKVEPNEPALFQMOH-UHFFFAOYSA-N
MW351.52 g/mol
LogP5.89
Rot. Bonds7

About 2-[3-[4-(2-methylpropyl)phenyl]propyl]-5-phenyl-1,3-thiazol-4-ol

2-[3-[4-(2-methylpropyl)phenyl]propyl]-5-phenyl-1,3-thiazol-4-ol (PubChem CID 67921141) has the molecular formula C22H25NOS and a molecular weight of 351.52 g/mol. Its IUPAC name is 2-[3-[4-(2-methylpropyl)phenyl]propyl]-5-phenyl-1,3-thiazol-4-ol.

Molecular Properties

Compound Name2-[3-[4-(2-methylpropyl)phenyl]propyl]-5-phenyl-1,3-thiazol-4-ol
PubChem CID67921141
Molecular FormulaC22H25NOS
Molecular Weight351.52 g/mol
Exact Mass351.17
IUPAC Name2-[3-[4-(2-methylpropyl)phenyl]propyl]-5-phenyl-1,3-thiazol-4-ol
SMILESCC(C)Cc1ccc(CCCc2nc(O)c(-c3ccccc3)s2)cc1
InChIInChI=1S/C22H25NOS/c1-16(2)15-18-13-11-17(12-14-18)7-6-10-20-23-22(24)21(25-20)19-8-4-3-5-9-19/h3-5,8-9,11-14,16,24H,6-7,10,15H2,1-2H3
InChIKeyKVEPNEPALFQMOH-UHFFFAOYSA-N
XLogP5.89
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.52
LogP ≤ 55.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[4-(2-methylpropyl)phenyl]propyl]-5-phenyl-1,3-thiazol-4-ol?
The IUPAC name of 2-[3-[4-(2-methylpropyl)phenyl]propyl]-5-phenyl-1,3-thiazol-4-ol (CID 67921141) is 2-[3-[4-(2-methylpropyl)phenyl]propyl]-5-phenyl-1,3-thiazol-4-ol.
What is the SMILES notation for 2-[3-[4-(2-methylpropyl)phenyl]propyl]-5-phenyl-1,3-thiazol-4-ol?
The canonical SMILES for 2-[3-[4-(2-methylpropyl)phenyl]propyl]-5-phenyl-1,3-thiazol-4-ol is CC(C)Cc1ccc(CCCc2nc(O)c(-c3ccccc3)s2)cc1.
What is the InChIKey of 2-[3-[4-(2-methylpropyl)phenyl]propyl]-5-phenyl-1,3-thiazol-4-ol?
The InChIKey is KVEPNEPALFQMOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25NOS/c1-16(2)15-18-13-11-17(12-14-18)7-6-10-20-23-22(24)21(25-20)19-8-4-3-5-9-19/h3-5,8-9,11-14,16,24H,6-7,10,15H2,1-2H3.
What are the key properties of 2-[3-[4-(2-methylpropyl)phenyl]propyl]-5-phenyl-1,3-thiazol-4-ol?
2-[3-[4-(2-methylpropyl)phenyl]propyl]-5-phenyl-1,3-thiazol-4-ol has a molecular weight of 351.52 g/mol, XLogP of 5.89, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[4-(2-methylpropyl)phenyl]propyl]-5-phenyl-1,3-thiazol-4-ol is sourced from PubChem (CID 67921141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).