N-benzyl-5-(4-methylphenyl)-N-phenyl-1,3-thiazol-2-amine

C23H20N2S — CID 54584977

IUPACN-benzyl-5-(4-methylphenyl)-N-phenyl-1,3-thiazol-2-amine
SMILESCc1ccc(-c2cnc(N(Cc3ccccc3)c3ccccc3)s2)cc1
InChIInChI=1S/C23H20N2S/c1-18-12-14-20(15-13-18)22-16-24-23(26-22)25(21-10-6-3-7-11-21)17-19-8-4-2-5-9-19/h2-16H,17H2,1H3
InChIKeyDPZZBZDPJAJWNG-UHFFFAOYSA-N
MW356.49 g/mol
LogP6.46
Rot. Bonds5

About N-benzyl-5-(4-methylphenyl)-N-phenyl-1,3-thiazol-2-amine

N-benzyl-5-(4-methylphenyl)-N-phenyl-1,3-thiazol-2-amine (PubChem CID 54584977) has the molecular formula C23H20N2S and a molecular weight of 356.49 g/mol. Its IUPAC name is N-benzyl-5-(4-methylphenyl)-N-phenyl-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-benzyl-5-(4-methylphenyl)-N-phenyl-1,3-thiazol-2-amine
PubChem CID54584977
Molecular FormulaC23H20N2S
Molecular Weight356.49 g/mol
Exact Mass356.13
IUPAC NameN-benzyl-5-(4-methylphenyl)-N-phenyl-1,3-thiazol-2-amine
SMILESCc1ccc(-c2cnc(N(Cc3ccccc3)c3ccccc3)s2)cc1
InChIInChI=1S/C23H20N2S/c1-18-12-14-20(15-13-18)22-16-24-23(26-22)25(21-10-6-3-7-11-21)17-19-8-4-2-5-9-19/h2-16H,17H2,1H3
InChIKeyDPZZBZDPJAJWNG-UHFFFAOYSA-N
XLogP6.46
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.49
LogP ≤ 56.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-5-(4-methylphenyl)-N-phenyl-1,3-thiazol-2-amine?
The IUPAC name of N-benzyl-5-(4-methylphenyl)-N-phenyl-1,3-thiazol-2-amine (CID 54584977) is N-benzyl-5-(4-methylphenyl)-N-phenyl-1,3-thiazol-2-amine.
What is the SMILES notation for N-benzyl-5-(4-methylphenyl)-N-phenyl-1,3-thiazol-2-amine?
The canonical SMILES for N-benzyl-5-(4-methylphenyl)-N-phenyl-1,3-thiazol-2-amine is Cc1ccc(-c2cnc(N(Cc3ccccc3)c3ccccc3)s2)cc1.
What is the InChIKey of N-benzyl-5-(4-methylphenyl)-N-phenyl-1,3-thiazol-2-amine?
The InChIKey is DPZZBZDPJAJWNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2S/c1-18-12-14-20(15-13-18)22-16-24-23(26-22)25(21-10-6-3-7-11-21)17-19-8-4-2-5-9-19/h2-16H,17H2,1H3.
What are the key properties of N-benzyl-5-(4-methylphenyl)-N-phenyl-1,3-thiazol-2-amine?
N-benzyl-5-(4-methylphenyl)-N-phenyl-1,3-thiazol-2-amine has a molecular weight of 356.49 g/mol, XLogP of 6.46, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-5-(4-methylphenyl)-N-phenyl-1,3-thiazol-2-amine is sourced from PubChem (CID 54584977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).