2-chloro-N-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]pyridine-4-carboxamide

C16H19ClN4O2S — CID 55520784

About 2-chloro-N-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]pyridine-4-carboxamide

2-chloro-N-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]pyridine-4-carboxamide (PubChem CID 55520784) has the molecular formula C16H19ClN4O2S and a molecular weight of 366.87 g/mol. Its IUPAC name is 2-chloro-N-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]pyridine-4-carboxamide.

Molecular Properties

• Compound Name: 2-chloro-N-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]pyridine-4-carboxamide
• PubChem CID: 55520784
• Molecular Formula: C16H19ClN4O2S
• Molecular Weight: 366.87 g/mol
• Exact Mass: 366.09
• IUPAC Name: 2-chloro-N-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]pyridine-4-carboxamide
• SMILES: CC1CN(Cc2csc(NC(=O)c3ccnc(Cl)c3)n2)CC(C)O1
• InChI: InChI=1S/C16H19ClN4O2S/c1-10-6-21(7-11(2)23-10)8-13-9-24-16(19-13)20-15(22)12-3-4-18-14(17)5-12/h3-5,9-11H,6-8H2,1-2H3,(H,19,20,22)
• InChIKey: TVJGNAYAVVCHIO-UHFFFAOYSA-N
• XLogP: 3.05
• TPSA: 67.35 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	366.87
LogP ≤ 5	3.05
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]pyridine-4-carboxamide?

The IUPAC name of 2-chloro-N-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]pyridine-4-carboxamide (CID 55520784) is 2-chloro-N-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]pyridine-4-carboxamide.

What is the SMILES notation for 2-chloro-N-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]pyridine-4-carboxamide?

The canonical SMILES for 2-chloro-N-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]pyridine-4-carboxamide is CC1CN(Cc2csc(NC(=O)c3ccnc(Cl)c3)n2)CC(C)O1.

What is the InChIKey of 2-chloro-N-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]pyridine-4-carboxamide?

The InChIKey is TVJGNAYAVVCHIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN4O2S/c1-10-6-21(7-11(2)23-10)8-13-9-24-16(19-13)20-15(22)12-3-4-18-14(17)5-12/h3-5,9-11H,6-8H2,1-2H3,(H,19,20,22).

What are the key properties of 2-chloro-N-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]pyridine-4-carboxamide?

2-chloro-N-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]pyridine-4-carboxamide has a molecular weight of 366.87 g/mol, XLogP of 3.05, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-chloro-N-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]pyridine-4-carboxamide is sourced from PubChem (CID 55520784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).