5-chloro-1,3-thiazole-2-carbaldehyde;N-methyl-3-[6-(4-methyl-1,3-oxazol-2-yl)-2-(2-methylpropyl)imidazo[4,5-c]pyridin-1-yl]cyclohexan-1-amine

C25H31ClN6O2S — CID 168886103

About 5-chloro-1,3-thiazole-2-carbaldehyde;N-methyl-3-[6-(4-methyl-1,3-oxazol-2-yl)-2-(2-methylpropyl)imidazo[4,5-c]pyridin-1-yl]cyclohexan-1-amine

5-chloro-1,3-thiazole-2-carbaldehyde;N-methyl-3-[6-(4-methyl-1,3-oxazol-2-yl)-2-(2-methylpropyl)imidazo[4,5-c]pyridin-1-yl]cyclohexan-1-amine (PubChem CID 168886103) has the molecular formula C25H31ClN6O2S and a molecular weight of 515.08 g/mol. Its IUPAC name is 5-chloro-1,3-thiazole-2-carbaldehyde;N-methyl-3-[6-(4-methyl-1,3-oxazol-2-yl)-2-(2-methylpropyl)imidazo[4,5-c]pyridin-1-yl]cyclohexan-1-amine.

Molecular Properties

• Compound Name: 5-chloro-1,3-thiazole-2-carbaldehyde;N-methyl-3-[6-(4-methyl-1,3-oxazol-2-yl)-2-(2-methylpropyl)imidazo[4,5-c]pyridin-1-yl]cyclohexan-1-amine
• PubChem CID: 168886103
• Molecular Formula: C25H31ClN6O2S
• Molecular Weight: 515.08 g/mol
• Exact Mass: 514.19
• IUPAC Name: 5-chloro-1,3-thiazole-2-carbaldehyde;N-methyl-3-[6-(4-methyl-1,3-oxazol-2-yl)-2-(2-methylpropyl)imidazo[4,5-c]pyridin-1-yl]cyclohexan-1-amine
• SMILES: CNC1CCCC(n2c(CC(C)C)nc3cnc(-c4nc(C)co4)cc32)C1.O=Cc1ncc(Cl)s1
• InChI: InChI=1S/C21H29N5O.C4H2ClNOS/c1-13(2)8-20-25-18-11-23-17(21-24-14(3)12-27-21)10-19(18)26(20)16-7-5-6-15(9-16)22-4;5-3-1-6-4(2-7)8-3/h10-13,15-16,22H,5-9H2,1-4H3;1-2H
• InChIKey: IYDVYHQFLVJJRU-UHFFFAOYSA-N
• XLogP: 5.91
• TPSA: 98.73 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	515.08
LogP ≤ 5	5.91
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-chloro-1,3-thiazole-2-carbaldehyde;N-methyl-3-[6-(4-methyl-1,3-oxazol-2-yl)-2-(2-methylpropyl)imidazo[4,5-c]pyridin-1-yl]cyclohexan-1-amine?

The IUPAC name of 5-chloro-1,3-thiazole-2-carbaldehyde;N-methyl-3-[6-(4-methyl-1,3-oxazol-2-yl)-2-(2-methylpropyl)imidazo[4,5-c]pyridin-1-yl]cyclohexan-1-amine (CID 168886103) is 5-chloro-1,3-thiazole-2-carbaldehyde;N-methyl-3-[6-(4-methyl-1,3-oxazol-2-yl)-2-(2-methylpropyl)imidazo[4,5-c]pyridin-1-yl]cyclohexan-1-amine.

What is the SMILES notation for 5-chloro-1,3-thiazole-2-carbaldehyde;N-methyl-3-[6-(4-methyl-1,3-oxazol-2-yl)-2-(2-methylpropyl)imidazo[4,5-c]pyridin-1-yl]cyclohexan-1-amine?

The canonical SMILES for 5-chloro-1,3-thiazole-2-carbaldehyde;N-methyl-3-[6-(4-methyl-1,3-oxazol-2-yl)-2-(2-methylpropyl)imidazo[4,5-c]pyridin-1-yl]cyclohexan-1-amine is CNC1CCCC(n2c(CC(C)C)nc3cnc(-c4nc(C)co4)cc32)C1.O=Cc1ncc(Cl)s1.

What is the InChIKey of 5-chloro-1,3-thiazole-2-carbaldehyde;N-methyl-3-[6-(4-methyl-1,3-oxazol-2-yl)-2-(2-methylpropyl)imidazo[4,5-c]pyridin-1-yl]cyclohexan-1-amine?

The InChIKey is IYDVYHQFLVJJRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N5O.C4H2ClNOS/c1-13(2)8-20-25-18-11-23-17(21-24-14(3)12-27-21)10-19(18)26(20)16-7-5-6-15(9-16)22-4;5-3-1-6-4(2-7)8-3/h10-13,15-16,22H,5-9H2,1-4H3;1-2H.

What are the key properties of 5-chloro-1,3-thiazole-2-carbaldehyde;N-methyl-3-[6-(4-methyl-1,3-oxazol-2-yl)-2-(2-methylpropyl)imidazo[4,5-c]pyridin-1-yl]cyclohexan-1-amine?

5-chloro-1,3-thiazole-2-carbaldehyde;N-methyl-3-[6-(4-methyl-1,3-oxazol-2-yl)-2-(2-methylpropyl)imidazo[4,5-c]pyridin-1-yl]cyclohexan-1-amine has a molecular weight of 515.08 g/mol, XLogP of 5.91, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 5-chloro-1,3-thiazole-2-carbaldehyde;N-methyl-3-[6-(4-methyl-1,3-oxazol-2-yl)-2-(2-methylpropyl)imidazo[4,5-c]pyridin-1-yl]cyclohexan-1-amine is sourced from PubChem (CID 168886103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).