1-N-[4-(2,6-dimethylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]-4-N,4-N-dimethylbenzene-1,4-diamine

C20H21N5S — CID 44602880

About 1-N-[4-(2,6-dimethylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]-4-N,4-N-dimethylbenzene-1,4-diamine

1-N-[4-(2,6-dimethylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]-4-N,4-N-dimethylbenzene-1,4-diamine (PubChem CID 44602880) has the molecular formula C20H21N5S and a molecular weight of 363.49 g/mol. Its IUPAC name is 1-N-[4-(2,6-dimethylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]-4-N,4-N-dimethylbenzene-1,4-diamine.

Molecular Properties

• Compound Name: 1-N-[4-(2,6-dimethylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]-4-N,4-N-dimethylbenzene-1,4-diamine
• PubChem CID: 44602880
• Molecular Formula: C20H21N5S
• Molecular Weight: 363.49 g/mol
• Exact Mass: 363.15
• IUPAC Name: 1-N-[4-(2,6-dimethylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]-4-N,4-N-dimethylbenzene-1,4-diamine
• SMILES: Cc1ccc2nc(C)c(-c3csc(Nc4ccc(N(C)C)cc4)n3)n2c1
• InChI: InChI=1S/C20H21N5S/c1-13-5-10-18-21-14(2)19(25(18)11-13)17-12-26-20(23-17)22-15-6-8-16(9-7-15)24(3)4/h5-12H,1-4H3,(H,22,23)
• InChIKey: YNCQXCICWVWSCY-UHFFFAOYSA-N
• XLogP: 4.88
• TPSA: 45.46 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	363.49
LogP ≤ 5	4.88
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-N-[4-(2,6-dimethylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]-4-N,4-N-dimethylbenzene-1,4-diamine?

The IUPAC name of 1-N-[4-(2,6-dimethylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]-4-N,4-N-dimethylbenzene-1,4-diamine (CID 44602880) is 1-N-[4-(2,6-dimethylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]-4-N,4-N-dimethylbenzene-1,4-diamine.

What is the SMILES notation for 1-N-[4-(2,6-dimethylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]-4-N,4-N-dimethylbenzene-1,4-diamine?

The canonical SMILES for 1-N-[4-(2,6-dimethylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]-4-N,4-N-dimethylbenzene-1,4-diamine is Cc1ccc2nc(C)c(-c3csc(Nc4ccc(N(C)C)cc4)n3)n2c1.

What is the InChIKey of 1-N-[4-(2,6-dimethylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]-4-N,4-N-dimethylbenzene-1,4-diamine?

The InChIKey is YNCQXCICWVWSCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5S/c1-13-5-10-18-21-14(2)19(25(18)11-13)17-12-26-20(23-17)22-15-6-8-16(9-7-15)24(3)4/h5-12H,1-4H3,(H,22,23).

What are the key properties of 1-N-[4-(2,6-dimethylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]-4-N,4-N-dimethylbenzene-1,4-diamine?

1-N-[4-(2,6-dimethylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]-4-N,4-N-dimethylbenzene-1,4-diamine has a molecular weight of 363.49 g/mol, XLogP of 4.88, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-N-[4-(2,6-dimethylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]-4-N,4-N-dimethylbenzene-1,4-diamine is sourced from PubChem (CID 44602880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).