4-N,4-N-dimethyl-1-N-[4-(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)-1,3-thiazol-2-yl]benzene-1,4-diamine

C17H17N5S2 — CID 1068714

About 4-N,4-N-dimethyl-1-N-[4-(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)-1,3-thiazol-2-yl]benzene-1,4-diamine

4-N,4-N-dimethyl-1-N-[4-(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)-1,3-thiazol-2-yl]benzene-1,4-diamine (PubChem CID 1068714) has the molecular formula C17H17N5S2 and a molecular weight of 355.49 g/mol. Its IUPAC name is 4-N,4-N-dimethyl-1-N-[4-(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)-1,3-thiazol-2-yl]benzene-1,4-diamine.

Molecular Properties

• Compound Name: 4-N,4-N-dimethyl-1-N-[4-(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)-1,3-thiazol-2-yl]benzene-1,4-diamine
• PubChem CID: 1068714
• Molecular Formula: C17H17N5S2
• Molecular Weight: 355.49 g/mol
• Exact Mass: 355.09
• IUPAC Name: 4-N,4-N-dimethyl-1-N-[4-(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)-1,3-thiazol-2-yl]benzene-1,4-diamine
• SMILES: Cc1nc2sccn2c1-c1csc(Nc2ccc(N(C)C)cc2)n1
• InChI: InChI=1S/C17H17N5S2/c1-11-15(22-8-9-23-17(22)18-11)14-10-24-16(20-14)19-12-4-6-13(7-5-12)21(2)3/h4-10H,1-3H3,(H,19,20)
• InChIKey: NLZJPRBLQZIJHC-UHFFFAOYSA-N
• XLogP: 4.64
• TPSA: 45.46 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	355.49
LogP ≤ 5	4.64
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-N,4-N-dimethyl-1-N-[4-(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)-1,3-thiazol-2-yl]benzene-1,4-diamine?

The IUPAC name of 4-N,4-N-dimethyl-1-N-[4-(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)-1,3-thiazol-2-yl]benzene-1,4-diamine (CID 1068714) is 4-N,4-N-dimethyl-1-N-[4-(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)-1,3-thiazol-2-yl]benzene-1,4-diamine.

What is the SMILES notation for 4-N,4-N-dimethyl-1-N-[4-(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)-1,3-thiazol-2-yl]benzene-1,4-diamine?

The canonical SMILES for 4-N,4-N-dimethyl-1-N-[4-(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)-1,3-thiazol-2-yl]benzene-1,4-diamine is Cc1nc2sccn2c1-c1csc(Nc2ccc(N(C)C)cc2)n1.

What is the InChIKey of 4-N,4-N-dimethyl-1-N-[4-(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)-1,3-thiazol-2-yl]benzene-1,4-diamine?

The InChIKey is NLZJPRBLQZIJHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5S2/c1-11-15(22-8-9-23-17(22)18-11)14-10-24-16(20-14)19-12-4-6-13(7-5-12)21(2)3/h4-10H,1-3H3,(H,19,20).

What are the key properties of 4-N,4-N-dimethyl-1-N-[4-(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)-1,3-thiazol-2-yl]benzene-1,4-diamine?

4-N,4-N-dimethyl-1-N-[4-(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)-1,3-thiazol-2-yl]benzene-1,4-diamine has a molecular weight of 355.49 g/mol, XLogP of 4.64, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 4-N,4-N-dimethyl-1-N-[4-(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)-1,3-thiazol-2-yl]benzene-1,4-diamine is sourced from PubChem (CID 1068714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).