5-chloro-4-(1H-pyrazol-4-yl)-N-pyridin-2-yl-1,3-thiazol-2-amine;N-(6-chloro-2-pyridinyl)-5-methyl-4-(1H-pyrazol-4-yl)-1,3-thiazol-2-amine;N-(6-fluoro-2-pyridinyl)-5-methyl-4-(1H-pyrazol-4-yl)-1,3-thiazol-2-amine

C35H28Cl2FN15S3 — CID 160532997

About 5-chloro-4-(1H-pyrazol-4-yl)-N-pyridin-2-yl-1,3-thiazol-2-amine;N-(6-chloro-2-pyridinyl)-5-methyl-4-(1H-pyrazol-4-yl)-1,3-thiazol-2-amine;N-(6-fluoro-2-pyridinyl)-5-methyl-4-(1H-pyrazol-4-yl)-1,3-thiazol-2-amine

5-chloro-4-(1H-pyrazol-4-yl)-N-pyridin-2-yl-1,3-thiazol-2-amine;N-(6-chloro-2-pyridinyl)-5-methyl-4-(1H-pyrazol-4-yl)-1,3-thiazol-2-amine;N-(6-fluoro-2-pyridinyl)-5-methyl-4-(1H-pyrazol-4-yl)-1,3-thiazol-2-amine (PubChem CID 160532997) has the molecular formula C35H28Cl2FN15S3 and a molecular weight of 844.82 g/mol. Its IUPAC name is 5-chloro-4-(1H-pyrazol-4-yl)-N-pyridin-2-yl-1,3-thiazol-2-amine;N-(6-chloro-2-pyridinyl)-5-methyl-4-(1H-pyrazol-4-yl)-1,3-thiazol-2-amine;N-(6-fluoro-2-pyridinyl)-5-methyl-4-(1H-pyrazol-4-yl)-1,3-thiazol-2-amine.

Molecular Properties

• Compound Name: 5-chloro-4-(1H-pyrazol-4-yl)-N-pyridin-2-yl-1,3-thiazol-2-amine;N-(6-chloro-2-pyridinyl)-5-methyl-4-(1H-pyrazol-4-yl)-1,3-thiazol-2-amine;N-(6-fluoro-2-pyridinyl)-5-methyl-4-(1H-pyrazol-4-yl)-1,3-thiazol-2-amine
• PubChem CID: 160532997
• Molecular Formula: C35H28Cl2FN15S3
• Molecular Weight: 844.82 g/mol
• Exact Mass: 843.12
• IUPAC Name: 5-chloro-4-(1H-pyrazol-4-yl)-N-pyridin-2-yl-1,3-thiazol-2-amine;N-(6-chloro-2-pyridinyl)-5-methyl-4-(1H-pyrazol-4-yl)-1,3-thiazol-2-amine;N-(6-fluoro-2-pyridinyl)-5-methyl-4-(1H-pyrazol-4-yl)-1,3-thiazol-2-amine
• SMILES: Cc1sc(Nc2cccc(Cl)n2)nc1-c1cn[nH]c1.Cc1sc(Nc2cccc(F)n2)nc1-c1cn[nH]c1.Clc1sc(Nc2ccccn2)nc1-c1cn[nH]c1
• InChI: InChI=1S/C12H10ClN5S.C12H10FN5S.C11H8ClN5S/c2*1-7-11(8-5-14-15-6-8)18-12(19-7)17-10-4-2-3-9(13)16-10;12-10-9(7-5-14-15-6-7)17-11(18-10)16-8-3-1-2-4-13-8/h2*2-6H,1H3,(H,14,15)(H,16,17,18);1-6H,(H,14,15)(H,13,16,17)
• InChIKey: QVUHICWYOLMTPR-UHFFFAOYSA-N
• XLogP: 10.08
• TPSA: 199.47 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 15
• Rotatable Bonds: 9
• Heavy Atoms: 56
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	844.82
LogP ≤ 5	10.08
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-(1H-pyrazol-4-yl)-N-pyridin-2-yl-1,3-thiazol-2-amine;N-(6-chloro-2-pyridinyl)-5-methyl-4-(1H-pyrazol-4-yl)-1,3-thiazol-2-amine;N-(6-fluoro-2-pyridinyl)-5-methyl-4-(1H-pyrazol-4-yl)-1,3-thiazol-2-amine?

The IUPAC name of 5-chloro-4-(1H-pyrazol-4-yl)-N-pyridin-2-yl-1,3-thiazol-2-amine;N-(6-chloro-2-pyridinyl)-5-methyl-4-(1H-pyrazol-4-yl)-1,3-thiazol-2-amine;N-(6-fluoro-2-pyridinyl)-5-methyl-4-(1H-pyrazol-4-yl)-1,3-thiazol-2-amine (CID 160532997) is 5-chloro-4-(1H-pyrazol-4-yl)-N-pyridin-2-yl-1,3-thiazol-2-amine;N-(6-chloro-2-pyridinyl)-5-methyl-4-(1H-pyrazol-4-yl)-1,3-thiazol-2-amine;N-(6-fluoro-2-pyridinyl)-5-methyl-4-(1H-pyrazol-4-yl)-1,3-thiazol-2-amine.

What is the SMILES notation for 5-chloro-4-(1H-pyrazol-4-yl)-N-pyridin-2-yl-1,3-thiazol-2-amine;N-(6-chloro-2-pyridinyl)-5-methyl-4-(1H-pyrazol-4-yl)-1,3-thiazol-2-amine;N-(6-fluoro-2-pyridinyl)-5-methyl-4-(1H-pyrazol-4-yl)-1,3-thiazol-2-amine?

The canonical SMILES for 5-chloro-4-(1H-pyrazol-4-yl)-N-pyridin-2-yl-1,3-thiazol-2-amine;N-(6-chloro-2-pyridinyl)-5-methyl-4-(1H-pyrazol-4-yl)-1,3-thiazol-2-amine;N-(6-fluoro-2-pyridinyl)-5-methyl-4-(1H-pyrazol-4-yl)-1,3-thiazol-2-amine is Cc1sc(Nc2cccc(Cl)n2)nc1-c1cn[nH]c1.Cc1sc(Nc2cccc(F)n2)nc1-c1cn[nH]c1.Clc1sc(Nc2ccccn2)nc1-c1cn[nH]c1.

What is the InChIKey of 5-chloro-4-(1H-pyrazol-4-yl)-N-pyridin-2-yl-1,3-thiazol-2-amine;N-(6-chloro-2-pyridinyl)-5-methyl-4-(1H-pyrazol-4-yl)-1,3-thiazol-2-amine;N-(6-fluoro-2-pyridinyl)-5-methyl-4-(1H-pyrazol-4-yl)-1,3-thiazol-2-amine?

The InChIKey is QVUHICWYOLMTPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClN5S.C12H10FN5S.C11H8ClN5S/c2*1-7-11(8-5-14-15-6-8)18-12(19-7)17-10-4-2-3-9(13)16-10;12-10-9(7-5-14-15-6-7)17-11(18-10)16-8-3-1-2-4-13-8/h2*2-6H,1H3,(H,14,15)(H,16,17,18);1-6H,(H,14,15)(H,13,16,17).

What are the key properties of 5-chloro-4-(1H-pyrazol-4-yl)-N-pyridin-2-yl-1,3-thiazol-2-amine;N-(6-chloro-2-pyridinyl)-5-methyl-4-(1H-pyrazol-4-yl)-1,3-thiazol-2-amine;N-(6-fluoro-2-pyridinyl)-5-methyl-4-(1H-pyrazol-4-yl)-1,3-thiazol-2-amine?

5-chloro-4-(1H-pyrazol-4-yl)-N-pyridin-2-yl-1,3-thiazol-2-amine;N-(6-chloro-2-pyridinyl)-5-methyl-4-(1H-pyrazol-4-yl)-1,3-thiazol-2-amine;N-(6-fluoro-2-pyridinyl)-5-methyl-4-(1H-pyrazol-4-yl)-1,3-thiazol-2-amine has a molecular weight of 844.82 g/mol, XLogP of 10.08, 9 rotatable bonds, 6 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 5-chloro-4-(1H-pyrazol-4-yl)-N-pyridin-2-yl-1,3-thiazol-2-amine;N-(6-chloro-2-pyridinyl)-5-methyl-4-(1H-pyrazol-4-yl)-1,3-thiazol-2-amine;N-(6-fluoro-2-pyridinyl)-5-methyl-4-(1H-pyrazol-4-yl)-1,3-thiazol-2-amine is sourced from PubChem (CID 160532997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).