4-N,4-N-dimethyl-1-N-[4-(2-methylimidazo[1,2-a]pyrimidin-3-yl)-1,3-thiazol-2-yl]benzene-1,4-diamine bromide

C18H18BrN6S- — CID 53350815

About 4-N,4-N-dimethyl-1-N-[4-(2-methylimidazo[1,2-a]pyrimidin-3-yl)-1,3-thiazol-2-yl]benzene-1,4-diamine bromide

4-N,4-N-dimethyl-1-N-[4-(2-methylimidazo[1,2-a]pyrimidin-3-yl)-1,3-thiazol-2-yl]benzene-1,4-diamine bromide (PubChem CID 53350815) has the molecular formula C18H18BrN6S- and a molecular weight of 430.36 g/mol. Its IUPAC name is 4-N,4-N-dimethyl-1-N-[4-(2-methylimidazo[1,2-a]pyrimidin-3-yl)-1,3-thiazol-2-yl]benzene-1,4-diamine bromide.

Molecular Properties

• Compound Name: 4-N,4-N-dimethyl-1-N-[4-(2-methylimidazo[1,2-a]pyrimidin-3-yl)-1,3-thiazol-2-yl]benzene-1,4-diamine bromide
• PubChem CID: 53350815
• Molecular Formula: C18H18BrN6S-
• Molecular Weight: 430.36 g/mol
• Exact Mass: 429.05
• IUPAC Name: 4-N,4-N-dimethyl-1-N-[4-(2-methylimidazo[1,2-a]pyrimidin-3-yl)-1,3-thiazol-2-yl]benzene-1,4-diamine bromide
• SMILES: Cc1nc2ncccn2c1-c1csc(Nc2ccc(N(C)C)cc2)n1.[Br-]
• InChI: InChI=1S/C18H18N6S.BrH/c1-12-16(24-10-4-9-19-17(24)20-12)15-11-25-18(22-15)21-13-5-7-14(8-6-13)23(2)3;/h4-11H,1-3H3,(H,21,22);1H/p-1
• InChIKey: VNVXYRPLYQLLIO-UHFFFAOYSA-M
• XLogP: 0.97
• TPSA: 58.35 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	430.36
LogP ≤ 5	0.97
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-(2-methylimidazo[1,2-a]pyrimidin-3-yl)-1,3-thiazol-2-yl]benzene-1,4-diamine bromide?

The IUPAC name of 4-N,4-N-dimethyl-1-N-[4-(2-methylimidazo[1,2-a]pyrimidin-3-yl)-1,3-thiazol-2-yl]benzene-1,4-diamine bromide (CID 53350815) is 4-N,4-N-dimethyl-1-N-[4-(2-methylimidazo[1,2-a]pyrimidin-3-yl)-1,3-thiazol-2-yl]benzene-1,4-diamine bromide.

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

The canonical SMILES for 4-N,4-N-dimethyl-1-N-[4-(2-methylimidazo[1,2-a]pyrimidin-3-yl)-1,3-thiazol-2-yl]benzene-1,4-diamine bromide is Cc1nc2ncccn2c1-c1csc(Nc2ccc(N(C)C)cc2)n1.[Br-].

What is the InChIKey of 4-N,4-N-dimethyl-1-N-[4-(2-methylimidazo[1,2-a]pyrimidin-3-yl)-1,3-thiazol-2-yl]benzene-1,4-diamine bromide?

The InChIKey is VNVXYRPLYQLLIO-UHFFFAOYSA-M. The full InChI is InChI=1S/C18H18N6S.BrH/c1-12-16(24-10-4-9-19-17(24)20-12)15-11-25-18(22-15)21-13-5-7-14(8-6-13)23(2)3;/h4-11H,1-3H3,(H,21,22);1H/p-1.

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

4-N,4-N-dimethyl-1-N-[4-(2-methylimidazo[1,2-a]pyrimidin-3-yl)-1,3-thiazol-2-yl]benzene-1,4-diamine bromide has a molecular weight of 430.36 g/mol, XLogP of 0.97, 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-(2-methylimidazo[1,2-a]pyrimidin-3-yl)-1,3-thiazol-2-yl]benzene-1,4-diamine bromide is sourced from PubChem (CID 53350815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).