6-N,6-N-dimethyl-2-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]pyridine-2,6-diamine

C22H20N4S — CID 89423176

IUPAC6-N,6-N-dimethyl-2-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]pyridine-2,6-diamine
SMILESCN(C)c1cccc(Nc2nc(-c3ccc(-c4ccccc4)cc3)cs2)n1
InChIInChI=1S/C22H20N4S/c1-26(2)21-10-6-9-20(24-21)25-22-23-19(15-27-22)18-13-11-17(12-14-18)16-7-4-3-5-8-16/h3-15H,1-2H3,(H,23,24,25)
InChIKeyKLFKHXKQJZJTGL-UHFFFAOYSA-N
MW372.50 g/mol
LogP5.68
Rot. Bonds5

About 6-N,6-N-dimethyl-2-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]pyridine-2,6-diamine

6-N,6-N-dimethyl-2-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]pyridine-2,6-diamine (PubChem CID 89423176) has the molecular formula C22H20N4S and a molecular weight of 372.50 g/mol. Its IUPAC name is 6-N,6-N-dimethyl-2-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]pyridine-2,6-diamine.

Molecular Properties

Compound Name6-N,6-N-dimethyl-2-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]pyridine-2,6-diamine
PubChem CID89423176
Molecular FormulaC22H20N4S
Molecular Weight372.50 g/mol
Exact Mass372.14
IUPAC Name6-N,6-N-dimethyl-2-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]pyridine-2,6-diamine
SMILESCN(C)c1cccc(Nc2nc(-c3ccc(-c4ccccc4)cc3)cs2)n1
InChIInChI=1S/C22H20N4S/c1-26(2)21-10-6-9-20(24-21)25-22-23-19(15-27-22)18-13-11-17(12-14-18)16-7-4-3-5-8-16/h3-15H,1-2H3,(H,23,24,25)
InChIKeyKLFKHXKQJZJTGL-UHFFFAOYSA-N
XLogP5.68
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.50
LogP ≤ 55.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-N,6-N-dimethyl-2-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]pyridine-2,6-diamine?
The IUPAC name of 6-N,6-N-dimethyl-2-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]pyridine-2,6-diamine (CID 89423176) is 6-N,6-N-dimethyl-2-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]pyridine-2,6-diamine.
What is the SMILES notation for 6-N,6-N-dimethyl-2-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]pyridine-2,6-diamine?
The canonical SMILES for 6-N,6-N-dimethyl-2-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]pyridine-2,6-diamine is CN(C)c1cccc(Nc2nc(-c3ccc(-c4ccccc4)cc3)cs2)n1.
What is the InChIKey of 6-N,6-N-dimethyl-2-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]pyridine-2,6-diamine?
The InChIKey is KLFKHXKQJZJTGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4S/c1-26(2)21-10-6-9-20(24-21)25-22-23-19(15-27-22)18-13-11-17(12-14-18)16-7-4-3-5-8-16/h3-15H,1-2H3,(H,23,24,25).
What are the key properties of 6-N,6-N-dimethyl-2-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]pyridine-2,6-diamine?
6-N,6-N-dimethyl-2-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]pyridine-2,6-diamine has a molecular weight of 372.50 g/mol, XLogP of 5.68, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N,6-N-dimethyl-2-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]pyridine-2,6-diamine is sourced from PubChem (CID 89423176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).