2-methyl-4-[1-(4-phenyl-1,3-thiazol-2-yl)hexan-3-yl]-1,3-thiazole

C19H22N2S2 — CID 143667666

IUPAC2-methyl-4-[1-(4-phenyl-1,3-thiazol-2-yl)hexan-3-yl]-1,3-thiazole
SMILESCCCC(CCc1nc(-c2ccccc2)cs1)c1csc(C)n1
InChIInChI=1S/C19H22N2S2/c1-3-7-15(17-12-22-14(2)20-17)10-11-19-21-18(13-23-19)16-8-5-4-6-9-16/h4-6,8-9,12-13,15H,3,7,10-11H2,1-2H3
InChIKeyUNSHYCJZPHVQSD-UHFFFAOYSA-N
MW342.53 g/mol
LogP6.09
Rot. Bonds7

About 2-methyl-4-[1-(4-phenyl-1,3-thiazol-2-yl)hexan-3-yl]-1,3-thiazole

2-methyl-4-[1-(4-phenyl-1,3-thiazol-2-yl)hexan-3-yl]-1,3-thiazole (PubChem CID 143667666) has the molecular formula C19H22N2S2 and a molecular weight of 342.53 g/mol. Its IUPAC name is 2-methyl-4-[1-(4-phenyl-1,3-thiazol-2-yl)hexan-3-yl]-1,3-thiazole.

Molecular Properties

Compound Name2-methyl-4-[1-(4-phenyl-1,3-thiazol-2-yl)hexan-3-yl]-1,3-thiazole
PubChem CID143667666
Molecular FormulaC19H22N2S2
Molecular Weight342.53 g/mol
Exact Mass342.12
IUPAC Name2-methyl-4-[1-(4-phenyl-1,3-thiazol-2-yl)hexan-3-yl]-1,3-thiazole
SMILESCCCC(CCc1nc(-c2ccccc2)cs1)c1csc(C)n1
InChIInChI=1S/C19H22N2S2/c1-3-7-15(17-12-22-14(2)20-17)10-11-19-21-18(13-23-19)16-8-5-4-6-9-16/h4-6,8-9,12-13,15H,3,7,10-11H2,1-2H3
InChIKeyUNSHYCJZPHVQSD-UHFFFAOYSA-N
XLogP6.09
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.53
LogP ≤ 56.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-methyl-4-[1-(4-phenyl-1,3-thiazol-2-yl)hexan-3-yl]-1,3-thiazole 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

2-methyl-4-(4-phenyl-1,3-thiazol-2-yl)butan-1-amine
CID 79817621
N-methyl-1-(4-phenyl-1,3-thiazol-2-yl)pentan-2-amine
CID 79819889
3-methyl-1-(4-phenyl-1,3-thiazol-2-yl)hexan-2-amine
CID 105006692
2-methyl-4-[4-(2-phenylethyl)phenyl]-1,3-thiazole
CID 174868608
triphenyl-[(4-phenyl-1,3-thiazol-2-yl)methyl]phosphanium
CID 23143294
3-amino-1-(4-phenyl-1,3-thiazol-2-yl)hexan-2-one
CID 116554751
N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]propan-2-amine
CID 79016244
2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]methyl]-4-phenyl-1,3-thiazole
CID 16566864
[3-methyl-1-(4-phenyl-1,3-thiazol-2-yl)hexan-2-yl]hydrazine
CID 105320685
4-(4-phenyl-1,3-thiazol-2-yl)butan-2-one
CID 82115866
3-methyl-4-(4-phenyl-1,3-thiazol-2-yl)-N-propylbutan-1-amine
CID 81018569
N-(2-methylpropyl)-4-(4-phenyl-1,3-thiazol-2-yl)butan-1-amine
CID 79816985

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[1-(4-phenyl-1,3-thiazol-2-yl)hexan-3-yl]-1,3-thiazole?
The IUPAC name of 2-methyl-4-[1-(4-phenyl-1,3-thiazol-2-yl)hexan-3-yl]-1,3-thiazole (CID 143667666) is 2-methyl-4-[1-(4-phenyl-1,3-thiazol-2-yl)hexan-3-yl]-1,3-thiazole.
What is the SMILES notation for 2-methyl-4-[1-(4-phenyl-1,3-thiazol-2-yl)hexan-3-yl]-1,3-thiazole?
The canonical SMILES for 2-methyl-4-[1-(4-phenyl-1,3-thiazol-2-yl)hexan-3-yl]-1,3-thiazole is CCCC(CCc1nc(-c2ccccc2)cs1)c1csc(C)n1.
What is the InChIKey of 2-methyl-4-[1-(4-phenyl-1,3-thiazol-2-yl)hexan-3-yl]-1,3-thiazole?
The InChIKey is UNSHYCJZPHVQSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2S2/c1-3-7-15(17-12-22-14(2)20-17)10-11-19-21-18(13-23-19)16-8-5-4-6-9-16/h4-6,8-9,12-13,15H,3,7,10-11H2,1-2H3.
What are the key properties of 2-methyl-4-[1-(4-phenyl-1,3-thiazol-2-yl)hexan-3-yl]-1,3-thiazole?
2-methyl-4-[1-(4-phenyl-1,3-thiazol-2-yl)hexan-3-yl]-1,3-thiazole has a molecular weight of 342.53 g/mol, XLogP of 6.09, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[1-(4-phenyl-1,3-thiazol-2-yl)hexan-3-yl]-1,3-thiazole is sourced from PubChem (CID 143667666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).