2-(5-amino-2-chloro-4-pyridinyl)-3-[[5-(1,3-thiazol-4-yl)pyrimidin-2-yl]amino]benzamide

C₁₉H₁₄ClN₇OS — CID 174175037

About 2-(5-amino-2-chloro-4-pyridinyl)-3-[[5-(1,3-thiazol-4-yl)pyrimidin-2-yl]amino]benzamide

2-(5-amino-2-chloro-4-pyridinyl)-3-[[5-(1,3-thiazol-4-yl)pyrimidin-2-yl]amino]benzamide (PubChem CID 174175037) has the molecular formula C₁₉H₁₄ClN₇OS and a molecular weight of 423.89 g/mol. Its IUPAC name is 2-(5-amino-2-chloro-4-pyridinyl)-3-[[5-(1,3-thiazol-4-yl)pyrimidin-2-yl]amino]benzamide.

Molecular Properties

• Compound Name: 2-(5-amino-2-chloro-4-pyridinyl)-3-[[5-(1,3-thiazol-4-yl)pyrimidin-2-yl]amino]benzamide
• PubChem CID: 174175037
• Molecular Formula: C₁₉H₁₄ClN₇OS
• Molecular Weight: 423.89 g/mol
• Exact Mass: 423.07
• IUPAC Name: 2-(5-amino-2-chloro-4-pyridinyl)-3-[[5-(1,3-thiazol-4-yl)pyrimidin-2-yl]amino]benzamide
• SMILES: NC(=O)c1cccc(Nc2ncc(-c3cscn3)cn2)c1-c1cc(Cl)ncc1N
• InChI: InChI=1S/C19H14ClN7OS/c20-16-4-12(13(21)7-23-16)17-11(18(22)28)2-1-3-14(17)27-19-24-5-10(6-25-19)15-8-29-9-26-15/h1-9H,21H2,(H2,22,28)(H,24,25,27)
• InChIKey: FBXPFENLGNECMN-UHFFFAOYSA-N
• XLogP: 3.74
• TPSA: 132.70 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	423.89
LogP ≤ 5	3.74
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-(5-amino-2-chloro-4-pyridinyl)-3-[[5-(1,3-thiazol-4-yl)pyrimidin-2-yl]amino]benzamide?

The IUPAC name of 2-(5-amino-2-chloro-4-pyridinyl)-3-[[5-(1,3-thiazol-4-yl)pyrimidin-2-yl]amino]benzamide (CID 174175037) is 2-(5-amino-2-chloro-4-pyridinyl)-3-[[5-(1,3-thiazol-4-yl)pyrimidin-2-yl]amino]benzamide.

What is the SMILES notation for 2-(5-amino-2-chloro-4-pyridinyl)-3-[[5-(1,3-thiazol-4-yl)pyrimidin-2-yl]amino]benzamide?

The canonical SMILES for 2-(5-amino-2-chloro-4-pyridinyl)-3-[[5-(1,3-thiazol-4-yl)pyrimidin-2-yl]amino]benzamide is NC(=O)c1cccc(Nc2ncc(-c3cscn3)cn2)c1-c1cc(Cl)ncc1N.

What is the InChIKey of 2-(5-amino-2-chloro-4-pyridinyl)-3-[[5-(1,3-thiazol-4-yl)pyrimidin-2-yl]amino]benzamide?

The InChIKey is FBXPFENLGNECMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClN7OS/c20-16-4-12(13(21)7-23-16)17-11(18(22)28)2-1-3-14(17)27-19-24-5-10(6-25-19)15-8-29-9-26-15/h1-9H,21H2,(H2,22,28)(H,24,25,27).

What are the key properties of 2-(5-amino-2-chloro-4-pyridinyl)-3-[[5-(1,3-thiazol-4-yl)pyrimidin-2-yl]amino]benzamide?

2-(5-amino-2-chloro-4-pyridinyl)-3-[[5-(1,3-thiazol-4-yl)pyrimidin-2-yl]amino]benzamide has a molecular weight of 423.89 g/mol, XLogP of 3.74, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(5-amino-2-chloro-4-pyridinyl)-3-[[5-(1,3-thiazol-4-yl)pyrimidin-2-yl]amino]benzamide is sourced from PubChem (CID 174175037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 174175037 — identifiers, structure, computed properties (public domain)

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