2-methyl-1,3-bis(5-phenyl-1,2-thiazol-3-yl)propan-2-ol

C22H20N2OS2 — CID 11741257

IUPAC2-methyl-1,3-bis(5-phenyl-1,2-thiazol-3-yl)propan-2-ol
SMILESCC(O)(Cc1cc(-c2ccccc2)sn1)Cc1cc(-c2ccccc2)sn1
InChIInChI=1S/C22H20N2OS2/c1-22(25,14-18-12-20(26-23-18)16-8-4-2-5-9-16)15-19-13-21(27-24-19)17-10-6-3-7-11-17/h2-13,25H,14-15H2,1H3
InChIKeyBEHKGHKCUYWORE-UHFFFAOYSA-N
MW392.55 g/mol
LogP5.47
Rot. Bonds6

About 2-methyl-1,3-bis(5-phenyl-1,2-thiazol-3-yl)propan-2-ol

2-methyl-1,3-bis(5-phenyl-1,2-thiazol-3-yl)propan-2-ol (PubChem CID 11741257) has the molecular formula C22H20N2OS2 and a molecular weight of 392.55 g/mol. Its IUPAC name is 2-methyl-1,3-bis(5-phenyl-1,2-thiazol-3-yl)propan-2-ol.

Molecular Properties

Compound Name2-methyl-1,3-bis(5-phenyl-1,2-thiazol-3-yl)propan-2-ol
PubChem CID11741257
Molecular FormulaC22H20N2OS2
Molecular Weight392.55 g/mol
Exact Mass392.10
IUPAC Name2-methyl-1,3-bis(5-phenyl-1,2-thiazol-3-yl)propan-2-ol
SMILESCC(O)(Cc1cc(-c2ccccc2)sn1)Cc1cc(-c2ccccc2)sn1
InChIInChI=1S/C22H20N2OS2/c1-22(25,14-18-12-20(26-23-18)16-8-4-2-5-9-16)15-19-13-21(27-24-19)17-10-6-3-7-11-17/h2-13,25H,14-15H2,1H3
InChIKeyBEHKGHKCUYWORE-UHFFFAOYSA-N
XLogP5.47
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.55
LogP ≤ 55.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-methyl-1,3-bis(5-phenyl-1,2-thiazol-3-yl)propan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(5-Phenyl-1,2-thiazol-3-yl)methyl]cyclohexan-1-ol
CID 10016135
1-(5-Phenyl-1,2-thiazol-3-yl)-2-[(5-phenyl-1,2-thiazol-3-yl)methyl]pentan-2-ol
CID 10025156
1-(5-Phenyl-1,2-thiazol-3-yl)butan-2-ol
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-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 2-methyl-1,3-bis(5-phenyl-1,2-thiazol-3-yl)propan-2-ol?
The IUPAC name of 2-methyl-1,3-bis(5-phenyl-1,2-thiazol-3-yl)propan-2-ol (CID 11741257) is 2-methyl-1,3-bis(5-phenyl-1,2-thiazol-3-yl)propan-2-ol.
What is the SMILES notation for 2-methyl-1,3-bis(5-phenyl-1,2-thiazol-3-yl)propan-2-ol?
The canonical SMILES for 2-methyl-1,3-bis(5-phenyl-1,2-thiazol-3-yl)propan-2-ol is CC(O)(Cc1cc(-c2ccccc2)sn1)Cc1cc(-c2ccccc2)sn1.
What is the InChIKey of 2-methyl-1,3-bis(5-phenyl-1,2-thiazol-3-yl)propan-2-ol?
The InChIKey is BEHKGHKCUYWORE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2OS2/c1-22(25,14-18-12-20(26-23-18)16-8-4-2-5-9-16)15-19-13-21(27-24-19)17-10-6-3-7-11-17/h2-13,25H,14-15H2,1H3.
What are the key properties of 2-methyl-1,3-bis(5-phenyl-1,2-thiazol-3-yl)propan-2-ol?
2-methyl-1,3-bis(5-phenyl-1,2-thiazol-3-yl)propan-2-ol has a molecular weight of 392.55 g/mol, XLogP of 5.47, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1,3-bis(5-phenyl-1,2-thiazol-3-yl)propan-2-ol is sourced from PubChem (CID 11741257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).