2-chloro-4-iodo-5-methylpyridine;N-[2-chloro-5-(trifluoromethyl)-4-pyridinyl]-5-pyrimidin-2-yl-1,3-thiazol-4-amine;5-pyrimidin-2-yl-1,3-thiazol-4-amine

C26H18Cl2F3IN10S2 — CID 158818341

About 2-chloro-4-iodo-5-methylpyridine;N-[2-chloro-5-(trifluoromethyl)-4-pyridinyl]-5-pyrimidin-2-yl-1,3-thiazol-4-amine;5-pyrimidin-2-yl-1,3-thiazol-4-amine

2-chloro-4-iodo-5-methylpyridine;N-[2-chloro-5-(trifluoromethyl)-4-pyridinyl]-5-pyrimidin-2-yl-1,3-thiazol-4-amine;5-pyrimidin-2-yl-1,3-thiazol-4-amine (PubChem CID 158818341) has the molecular formula C26H18Cl2F3IN10S2 and a molecular weight of 789.44 g/mol. Its IUPAC name is 2-chloro-4-iodo-5-methylpyridine;N-[2-chloro-5-(trifluoromethyl)-4-pyridinyl]-5-pyrimidin-2-yl-1,3-thiazol-4-amine;5-pyrimidin-2-yl-1,3-thiazol-4-amine.

Molecular Properties

• Compound Name: 2-chloro-4-iodo-5-methylpyridine;N-[2-chloro-5-(trifluoromethyl)-4-pyridinyl]-5-pyrimidin-2-yl-1,3-thiazol-4-amine;5-pyrimidin-2-yl-1,3-thiazol-4-amine
• PubChem CID: 158818341
• Molecular Formula: C26H18Cl2F3IN10S2
• Molecular Weight: 789.44 g/mol
• Exact Mass: 787.95
• IUPAC Name: 2-chloro-4-iodo-5-methylpyridine;N-[2-chloro-5-(trifluoromethyl)-4-pyridinyl]-5-pyrimidin-2-yl-1,3-thiazol-4-amine;5-pyrimidin-2-yl-1,3-thiazol-4-amine
• SMILES: Cc1cnc(Cl)cc1I.FC(F)(F)c1cnc(Cl)cc1Nc1ncsc1-c1ncccn1.Nc1ncsc1-c1ncccn1
• InChI: InChI=1S/C13H7ClF3N5S.C7H6N4S.C6H5ClIN/c14-9-4-8(7(5-20-9)13(15,16)17)22-12-10(23-6-21-12)11-18-2-1-3-19-11;8-6-5(12-4-11-6)7-9-2-1-3-10-7;1-4-3-9-6(7)2-5(4)8/h1-6H,(H,20,22);1-4H,8H2;2-3H,1H3
• InChIKey: IVOBREBJZAHAMY-UHFFFAOYSA-N
• XLogP: 8.24
• TPSA: 141.17 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 12
• Rotatable Bonds: 4
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	789.44
LogP ≤ 5	8.24
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-iodo-5-methylpyridine;N-[2-chloro-5-(trifluoromethyl)-4-pyridinyl]-5-pyrimidin-2-yl-1,3-thiazol-4-amine;5-pyrimidin-2-yl-1,3-thiazol-4-amine?

The IUPAC name of 2-chloro-4-iodo-5-methylpyridine;N-[2-chloro-5-(trifluoromethyl)-4-pyridinyl]-5-pyrimidin-2-yl-1,3-thiazol-4-amine;5-pyrimidin-2-yl-1,3-thiazol-4-amine (CID 158818341) is 2-chloro-4-iodo-5-methylpyridine;N-[2-chloro-5-(trifluoromethyl)-4-pyridinyl]-5-pyrimidin-2-yl-1,3-thiazol-4-amine;5-pyrimidin-2-yl-1,3-thiazol-4-amine.

What is the SMILES notation for 2-chloro-4-iodo-5-methylpyridine;N-[2-chloro-5-(trifluoromethyl)-4-pyridinyl]-5-pyrimidin-2-yl-1,3-thiazol-4-amine;5-pyrimidin-2-yl-1,3-thiazol-4-amine?

The canonical SMILES for 2-chloro-4-iodo-5-methylpyridine;N-[2-chloro-5-(trifluoromethyl)-4-pyridinyl]-5-pyrimidin-2-yl-1,3-thiazol-4-amine;5-pyrimidin-2-yl-1,3-thiazol-4-amine is Cc1cnc(Cl)cc1I.FC(F)(F)c1cnc(Cl)cc1Nc1ncsc1-c1ncccn1.Nc1ncsc1-c1ncccn1.

What is the InChIKey of 2-chloro-4-iodo-5-methylpyridine;N-[2-chloro-5-(trifluoromethyl)-4-pyridinyl]-5-pyrimidin-2-yl-1,3-thiazol-4-amine;5-pyrimidin-2-yl-1,3-thiazol-4-amine?

The InChIKey is IVOBREBJZAHAMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7ClF3N5S.C7H6N4S.C6H5ClIN/c14-9-4-8(7(5-20-9)13(15,16)17)22-12-10(23-6-21-12)11-18-2-1-3-19-11;8-6-5(12-4-11-6)7-9-2-1-3-10-7;1-4-3-9-6(7)2-5(4)8/h1-6H,(H,20,22);1-4H,8H2;2-3H,1H3.

What are the key properties of 2-chloro-4-iodo-5-methylpyridine;N-[2-chloro-5-(trifluoromethyl)-4-pyridinyl]-5-pyrimidin-2-yl-1,3-thiazol-4-amine;5-pyrimidin-2-yl-1,3-thiazol-4-amine?

2-chloro-4-iodo-5-methylpyridine;N-[2-chloro-5-(trifluoromethyl)-4-pyridinyl]-5-pyrimidin-2-yl-1,3-thiazol-4-amine;5-pyrimidin-2-yl-1,3-thiazol-4-amine has a molecular weight of 789.44 g/mol, XLogP of 8.24, 4 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 2-chloro-4-iodo-5-methylpyridine;N-[2-chloro-5-(trifluoromethyl)-4-pyridinyl]-5-pyrimidin-2-yl-1,3-thiazol-4-amine;5-pyrimidin-2-yl-1,3-thiazol-4-amine is sourced from PubChem (CID 158818341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).