4,4-dimethyl-N-(2-phenylphenyl)-5H-1,3-thiazol-2-amine

C17H18N2S — CID 43439652

IUPAC4,4-dimethyl-N-(2-phenylphenyl)-5H-1,3-thiazol-2-amine
SMILESCC1(C)CSC(Nc2ccccc2-c2ccccc2)=N1
InChIInChI=1S/C17H18N2S/c1-17(2)12-20-16(19-17)18-15-11-7-6-10-14(15)13-8-4-3-5-9-13/h3-11H,12H2,1-2H3,(H,18,19)
InChIKeyKPMNCEIQIUEPFK-UHFFFAOYSA-N
MW282.41 g/mol
LogP4.65
Rot. Bonds2

About 4,4-dimethyl-N-(2-phenylphenyl)-5H-1,3-thiazol-2-amine

4,4-dimethyl-N-(2-phenylphenyl)-5H-1,3-thiazol-2-amine (PubChem CID 43439652) has the molecular formula C17H18N2S and a molecular weight of 282.41 g/mol. Its IUPAC name is 4,4-dimethyl-N-(2-phenylphenyl)-5H-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4,4-dimethyl-N-(2-phenylphenyl)-5H-1,3-thiazol-2-amine
PubChem CID43439652
Molecular FormulaC17H18N2S
Molecular Weight282.41 g/mol
Exact Mass282.12
IUPAC Name4,4-dimethyl-N-(2-phenylphenyl)-5H-1,3-thiazol-2-amine
SMILESCC1(C)CSC(Nc2ccccc2-c2ccccc2)=N1
InChIInChI=1S/C17H18N2S/c1-17(2)12-20-16(19-17)18-15-11-7-6-10-14(15)13-8-4-3-5-9-13/h3-11H,12H2,1-2H3,(H,18,19)
InChIKeyKPMNCEIQIUEPFK-UHFFFAOYSA-N
XLogP4.65
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-N-(2-phenylphenyl)-5H-1,3-thiazol-2-amine?
The IUPAC name of 4,4-dimethyl-N-(2-phenylphenyl)-5H-1,3-thiazol-2-amine (CID 43439652) is 4,4-dimethyl-N-(2-phenylphenyl)-5H-1,3-thiazol-2-amine.
What is the SMILES notation for 4,4-dimethyl-N-(2-phenylphenyl)-5H-1,3-thiazol-2-amine?
The canonical SMILES for 4,4-dimethyl-N-(2-phenylphenyl)-5H-1,3-thiazol-2-amine is CC1(C)CSC(Nc2ccccc2-c2ccccc2)=N1.
What is the InChIKey of 4,4-dimethyl-N-(2-phenylphenyl)-5H-1,3-thiazol-2-amine?
The InChIKey is KPMNCEIQIUEPFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2S/c1-17(2)12-20-16(19-17)18-15-11-7-6-10-14(15)13-8-4-3-5-9-13/h3-11H,12H2,1-2H3,(H,18,19).
What are the key properties of 4,4-dimethyl-N-(2-phenylphenyl)-5H-1,3-thiazol-2-amine?
4,4-dimethyl-N-(2-phenylphenyl)-5H-1,3-thiazol-2-amine has a molecular weight of 282.41 g/mol, XLogP of 4.65, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-N-(2-phenylphenyl)-5H-1,3-thiazol-2-amine is sourced from PubChem (CID 43439652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).