N-cyclohexyl-2-[[5-[[ethyl(methyl)amino]methylideneamino]-3,6-dimethyl-2-pyridinyl]methyl]-1,3-thiazole-4-carboxamide;dihydrochloride

C22H33Cl2N5OS — CID 90185144

About N-cyclohexyl-2-[[5-[[ethyl(methyl)amino]methylideneamino]-3,6-dimethyl-2-pyridinyl]methyl]-1,3-thiazole-4-carboxamide;dihydrochloride

N-cyclohexyl-2-[[5-[[ethyl(methyl)amino]methylideneamino]-3,6-dimethyl-2-pyridinyl]methyl]-1,3-thiazole-4-carboxamide;dihydrochloride (PubChem CID 90185144) has the molecular formula C22H33Cl2N5OS and a molecular weight of 486.51 g/mol. Its IUPAC name is N-cyclohexyl-2-[[5-[[ethyl(methyl)amino]methylideneamino]-3,6-dimethyl-2-pyridinyl]methyl]-1,3-thiazole-4-carboxamide;dihydrochloride.

Molecular Properties

• Compound Name: N-cyclohexyl-2-[[5-[[ethyl(methyl)amino]methylideneamino]-3,6-dimethyl-2-pyridinyl]methyl]-1,3-thiazole-4-carboxamide;dihydrochloride
• PubChem CID: 90185144
• Molecular Formula: C22H33Cl2N5OS
• Molecular Weight: 486.51 g/mol
• Exact Mass: 485.18
• IUPAC Name: N-cyclohexyl-2-[[5-[[ethyl(methyl)amino]methylideneamino]-3,6-dimethyl-2-pyridinyl]methyl]-1,3-thiazole-4-carboxamide;dihydrochloride
• SMILES: CCN(C)/C=N/c1cc(C)c(Cc2nc(C(=O)NC3CCCCC3)cs2)nc1C.Cl.Cl
• InChI: InChI=1S/C22H31N5OS.2ClH/c1-5-27(4)14-23-19-11-15(2)18(24-16(19)3)12-21-26-20(13-29-21)22(28)25-17-9-7-6-8-10-17;;/h11,13-14,17H,5-10,12H2,1-4H3,(H,25,28);2*1H/b23-14+
• InChIKey: YOHZDIFPEFQNDW-PQZUSRQGSA-N
• XLogP: 5.26
• TPSA: 70.48 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	486.51
LogP ≤ 5	5.26
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-[[5-[[ethyl(methyl)amino]methylideneamino]-3,6-dimethyl-2-pyridinyl]methyl]-1,3-thiazole-4-carboxamide;dihydrochloride?

The IUPAC name of N-cyclohexyl-2-[[5-[[ethyl(methyl)amino]methylideneamino]-3,6-dimethyl-2-pyridinyl]methyl]-1,3-thiazole-4-carboxamide;dihydrochloride (CID 90185144) is N-cyclohexyl-2-[[5-[[ethyl(methyl)amino]methylideneamino]-3,6-dimethyl-2-pyridinyl]methyl]-1,3-thiazole-4-carboxamide;dihydrochloride.

What is the SMILES notation for N-cyclohexyl-2-[[5-[[ethyl(methyl)amino]methylideneamino]-3,6-dimethyl-2-pyridinyl]methyl]-1,3-thiazole-4-carboxamide;dihydrochloride?

The canonical SMILES for N-cyclohexyl-2-[[5-[[ethyl(methyl)amino]methylideneamino]-3,6-dimethyl-2-pyridinyl]methyl]-1,3-thiazole-4-carboxamide;dihydrochloride is CCN(C)/C=N/c1cc(C)c(Cc2nc(C(=O)NC3CCCCC3)cs2)nc1C.Cl.Cl.

What is the InChIKey of N-cyclohexyl-2-[[5-[[ethyl(methyl)amino]methylideneamino]-3,6-dimethyl-2-pyridinyl]methyl]-1,3-thiazole-4-carboxamide;dihydrochloride?

The InChIKey is YOHZDIFPEFQNDW-PQZUSRQGSA-N. The full InChI is InChI=1S/C22H31N5OS.2ClH/c1-5-27(4)14-23-19-11-15(2)18(24-16(19)3)12-21-26-20(13-29-21)22(28)25-17-9-7-6-8-10-17;;/h11,13-14,17H,5-10,12H2,1-4H3,(H,25,28);2*1H/b23-14+;;.

What are the key properties of N-cyclohexyl-2-[[5-[[ethyl(methyl)amino]methylideneamino]-3,6-dimethyl-2-pyridinyl]methyl]-1,3-thiazole-4-carboxamide;dihydrochloride?

N-cyclohexyl-2-[[5-[[ethyl(methyl)amino]methylideneamino]-3,6-dimethyl-2-pyridinyl]methyl]-1,3-thiazole-4-carboxamide;dihydrochloride has a molecular weight of 486.51 g/mol, XLogP of 5.26, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-cyclohexyl-2-[[5-[[ethyl(methyl)amino]methylideneamino]-3,6-dimethyl-2-pyridinyl]methyl]-1,3-thiazole-4-carboxamide;dihydrochloride is sourced from PubChem (CID 90185144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).