1-(5-phenyl-1,2-thiazol-3-yl)-2-[(5-phenyl-1,2-thiazol-3-yl)methyl]pentan-2-ol

C24H24N2OS2 — CID 10025156

IUPAC1-(5-phenyl-1,2-thiazol-3-yl)-2-[(5-phenyl-1,2-thiazol-3-yl)methyl]pentan-2-ol
SMILESCCCC(O)(Cc1cc(-c2ccccc2)sn1)Cc1cc(-c2ccccc2)sn1
InChIInChI=1S/C24H24N2OS2/c1-2-13-24(27,16-20-14-22(28-25-20)18-9-5-3-6-10-18)17-21-15-23(29-26-21)19-11-7-4-8-12-19/h3-12,14-15,27H,2,13,16-17H2,1H3
InChIKeyBTPKUXXRUDUMOM-UHFFFAOYSA-N
MW420.60 g/mol
LogP6.25
Rot. Bonds8

About 1-(5-phenyl-1,2-thiazol-3-yl)-2-[(5-phenyl-1,2-thiazol-3-yl)methyl]pentan-2-ol

1-(5-phenyl-1,2-thiazol-3-yl)-2-[(5-phenyl-1,2-thiazol-3-yl)methyl]pentan-2-ol (PubChem CID 10025156) has the molecular formula C24H24N2OS2 and a molecular weight of 420.60 g/mol. Its IUPAC name is 1-(5-phenyl-1,2-thiazol-3-yl)-2-[(5-phenyl-1,2-thiazol-3-yl)methyl]pentan-2-ol.

Molecular Properties

Compound Name1-(5-phenyl-1,2-thiazol-3-yl)-2-[(5-phenyl-1,2-thiazol-3-yl)methyl]pentan-2-ol
PubChem CID10025156
Molecular FormulaC24H24N2OS2
Molecular Weight420.60 g/mol
Exact Mass420.13
IUPAC Name1-(5-phenyl-1,2-thiazol-3-yl)-2-[(5-phenyl-1,2-thiazol-3-yl)methyl]pentan-2-ol
SMILESCCCC(O)(Cc1cc(-c2ccccc2)sn1)Cc1cc(-c2ccccc2)sn1
InChIInChI=1S/C24H24N2OS2/c1-2-13-24(27,16-20-14-22(28-25-20)18-9-5-3-6-10-18)17-21-15-23(29-26-21)19-11-7-4-8-12-19/h3-12,14-15,27H,2,13,16-17H2,1H3
InChIKeyBTPKUXXRUDUMOM-UHFFFAOYSA-N
XLogP6.25
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.60
LogP ≤ 56.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(5-phenyl-1,2-thiazol-3-yl)-2-[(5-phenyl-1,2-thiazol-3-yl)methyl]pentan-2-ol with MolForge

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Related Compounds

1-[(5-Phenyl-1,2-thiazol-3-yl)methyl]cyclohexan-1-ol
CID 10016135
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CID 10353949
(E)-4-phenyl-1-(5-phenyl-1,2-thiazol-3-yl)-2-[(5-phenyl-1,2-thiazol-3-yl)methyl]but-3-en-2-ol
CID 10367896
1-[(5-Phenyl-1,2-thiazol-3-yl)methyl]cyclopentan-1-ol
CID 10400357
2-Methyl-1-(5-phenyl-1,2-thiazol-3-yl)propan-2-ol
CID 10421504
1-Phenyl-2-(5-phenyl-1,2-thiazol-3-yl)ethanol
CID 10446470
5-Phenyl-3-[2-(5-phenyl-1,2-thiazol-3-yl)ethyl]-1,2-thiazole
CID 10450447
2-Methyl-1,3-bis(5-phenyl-1,2-thiazol-3-yl)propan-2-ol
CID 11741257
2-Phenyl-1-(5-phenyl-1,2-thiazol-3-yl)propan-2-ol
CID 9971750
2-Methyl-1-(5-phenyl-1,2-thiazol-3-yl)but-3-en-2-ol
CID 9992096
(E)-2-methyl-4-phenyl-1-(5-phenyl-1,2-thiazol-3-yl)but-3-en-2-ol
CID 10018993
1,1-Diphenyl-2-(5-phenyl-1,2-thiazol-3-yl)ethanol
CID 10066921

Frequently Asked Questions

What is the IUPAC name of 1-(5-phenyl-1,2-thiazol-3-yl)-2-[(5-phenyl-1,2-thiazol-3-yl)methyl]pentan-2-ol?
The IUPAC name of 1-(5-phenyl-1,2-thiazol-3-yl)-2-[(5-phenyl-1,2-thiazol-3-yl)methyl]pentan-2-ol (CID 10025156) is 1-(5-phenyl-1,2-thiazol-3-yl)-2-[(5-phenyl-1,2-thiazol-3-yl)methyl]pentan-2-ol.
What is the SMILES notation for 1-(5-phenyl-1,2-thiazol-3-yl)-2-[(5-phenyl-1,2-thiazol-3-yl)methyl]pentan-2-ol?
The canonical SMILES for 1-(5-phenyl-1,2-thiazol-3-yl)-2-[(5-phenyl-1,2-thiazol-3-yl)methyl]pentan-2-ol is CCCC(O)(Cc1cc(-c2ccccc2)sn1)Cc1cc(-c2ccccc2)sn1.
What is the InChIKey of 1-(5-phenyl-1,2-thiazol-3-yl)-2-[(5-phenyl-1,2-thiazol-3-yl)methyl]pentan-2-ol?
The InChIKey is BTPKUXXRUDUMOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2OS2/c1-2-13-24(27,16-20-14-22(28-25-20)18-9-5-3-6-10-18)17-21-15-23(29-26-21)19-11-7-4-8-12-19/h3-12,14-15,27H,2,13,16-17H2,1H3.
What are the key properties of 1-(5-phenyl-1,2-thiazol-3-yl)-2-[(5-phenyl-1,2-thiazol-3-yl)methyl]pentan-2-ol?
1-(5-phenyl-1,2-thiazol-3-yl)-2-[(5-phenyl-1,2-thiazol-3-yl)methyl]pentan-2-ol has a molecular weight of 420.60 g/mol, XLogP of 6.25, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-phenyl-1,2-thiazol-3-yl)-2-[(5-phenyl-1,2-thiazol-3-yl)methyl]pentan-2-ol is sourced from PubChem (CID 10025156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).