4-chloro-N-(4,4-difluorocyclohexyl)-6-(3,5-dimethylpyrazol-1-yl)pyridin-2-amine;2-N-(4,4-difluorocyclohexyl)-6-(3,5-dimethylpyrazol-1-yl)-4-N-[1-(1,3-thiazol-2-yl)ethyl]pyridine-2,4-diamine;1-(1,3-thiazol-2-yl)ethanamine

C42H53ClF4N12S2 — CID 161175907

About 4-chloro-N-(4,4-difluorocyclohexyl)-6-(3,5-dimethylpyrazol-1-yl)pyridin-2-amine;2-N-(4,4-difluorocyclohexyl)-6-(3,5-dimethylpyrazol-1-yl)-4-N-[1-(1,3-thiazol-2-yl)ethyl]pyridine-2,4-diamine;1-(1,3-thiazol-2-yl)ethanamine

4-chloro-N-(4,4-difluorocyclohexyl)-6-(3,5-dimethylpyrazol-1-yl)pyridin-2-amine;2-N-(4,4-difluorocyclohexyl)-6-(3,5-dimethylpyrazol-1-yl)-4-N-[1-(1,3-thiazol-2-yl)ethyl]pyridine-2,4-diamine;1-(1,3-thiazol-2-yl)ethanamine (PubChem CID 161175907) has the molecular formula C42H53ClF4N12S2 and a molecular weight of 901.55 g/mol. Its IUPAC name is 4-chloro-N-(4,4-difluorocyclohexyl)-6-(3,5-dimethylpyrazol-1-yl)pyridin-2-amine;2-N-(4,4-difluorocyclohexyl)-6-(3,5-dimethylpyrazol-1-yl)-4-N-[1-(1,3-thiazol-2-yl)ethyl]pyridine-2,4-diamine;1-(1,3-thiazol-2-yl)ethanamine.

Molecular Properties

• Compound Name: 4-chloro-N-(4,4-difluorocyclohexyl)-6-(3,5-dimethylpyrazol-1-yl)pyridin-2-amine;2-N-(4,4-difluorocyclohexyl)-6-(3,5-dimethylpyrazol-1-yl)-4-N-[1-(1,3-thiazol-2-yl)ethyl]pyridine-2,4-diamine;1-(1,3-thiazol-2-yl)ethanamine
• PubChem CID: 161175907
• Molecular Formula: C42H53ClF4N12S2
• Molecular Weight: 901.55 g/mol
• Exact Mass: 900.36
• IUPAC Name: 4-chloro-N-(4,4-difluorocyclohexyl)-6-(3,5-dimethylpyrazol-1-yl)pyridin-2-amine;2-N-(4,4-difluorocyclohexyl)-6-(3,5-dimethylpyrazol-1-yl)-4-N-[1-(1,3-thiazol-2-yl)ethyl]pyridine-2,4-diamine;1-(1,3-thiazol-2-yl)ethanamine
• SMILES: CC(N)c1nccs1.Cc1cc(C)n(-c2cc(Cl)cc(NC3CCC(F)(F)CC3)n2)n1.Cc1cc(C)n(-c2cc(NC(C)c3nccs3)cc(NC3CCC(F)(F)CC3)n2)n1
• InChI: InChI=1S/C21H26F2N6S.C16H19ClF2N4.C5H8N2S/c1-13-10-14(2)29(28-13)19-12-17(25-15(3)20-24-8-9-30-20)11-18(27-19)26-16-4-6-21(22,23)7-5-16;1-10-7-11(2)23(22-10)15-9-12(17)8-14(21-15)20-13-3-5-16(18,19)6-4-13;1-4(6)5-7-2-3-8-5/h8-12,15-16H,4-7H2,1-3H3,(H2,25,26,27);7-9,13H,3-6H2,1-2H3,(H,20,21);2-4H,6H2,1H3
• InChIKey: URUPHSFQBKMFFZ-UHFFFAOYSA-N
• XLogP: 11.19
• TPSA: 149.31 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 14
• Rotatable Bonds: 10
• Heavy Atoms: 61
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	901.55
LogP ≤ 5	11.19
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	14

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(4,4-difluorocyclohexyl)-6-(3,5-dimethylpyrazol-1-yl)pyridin-2-amine;2-N-(4,4-difluorocyclohexyl)-6-(3,5-dimethylpyrazol-1-yl)-4-N-[1-(1,3-thiazol-2-yl)ethyl]pyridine-2,4-diamine;1-(1,3-thiazol-2-yl)ethanamine?

The IUPAC name of 4-chloro-N-(4,4-difluorocyclohexyl)-6-(3,5-dimethylpyrazol-1-yl)pyridin-2-amine;2-N-(4,4-difluorocyclohexyl)-6-(3,5-dimethylpyrazol-1-yl)-4-N-[1-(1,3-thiazol-2-yl)ethyl]pyridine-2,4-diamine;1-(1,3-thiazol-2-yl)ethanamine (CID 161175907) is 4-chloro-N-(4,4-difluorocyclohexyl)-6-(3,5-dimethylpyrazol-1-yl)pyridin-2-amine;2-N-(4,4-difluorocyclohexyl)-6-(3,5-dimethylpyrazol-1-yl)-4-N-[1-(1,3-thiazol-2-yl)ethyl]pyridine-2,4-diamine;1-(1,3-thiazol-2-yl)ethanamine.

What is the SMILES notation for 4-chloro-N-(4,4-difluorocyclohexyl)-6-(3,5-dimethylpyrazol-1-yl)pyridin-2-amine;2-N-(4,4-difluorocyclohexyl)-6-(3,5-dimethylpyrazol-1-yl)-4-N-[1-(1,3-thiazol-2-yl)ethyl]pyridine-2,4-diamine;1-(1,3-thiazol-2-yl)ethanamine?

The canonical SMILES for 4-chloro-N-(4,4-difluorocyclohexyl)-6-(3,5-dimethylpyrazol-1-yl)pyridin-2-amine;2-N-(4,4-difluorocyclohexyl)-6-(3,5-dimethylpyrazol-1-yl)-4-N-[1-(1,3-thiazol-2-yl)ethyl]pyridine-2,4-diamine;1-(1,3-thiazol-2-yl)ethanamine is CC(N)c1nccs1.Cc1cc(C)n(-c2cc(Cl)cc(NC3CCC(F)(F)CC3)n2)n1.Cc1cc(C)n(-c2cc(NC(C)c3nccs3)cc(NC3CCC(F)(F)CC3)n2)n1.

What is the InChIKey of 4-chloro-N-(4,4-difluorocyclohexyl)-6-(3,5-dimethylpyrazol-1-yl)pyridin-2-amine;2-N-(4,4-difluorocyclohexyl)-6-(3,5-dimethylpyrazol-1-yl)-4-N-[1-(1,3-thiazol-2-yl)ethyl]pyridine-2,4-diamine;1-(1,3-thiazol-2-yl)ethanamine?

The InChIKey is URUPHSFQBKMFFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26F2N6S.C16H19ClF2N4.C5H8N2S/c1-13-10-14(2)29(28-13)19-12-17(25-15(3)20-24-8-9-30-20)11-18(27-19)26-16-4-6-21(22,23)7-5-16;1-10-7-11(2)23(22-10)15-9-12(17)8-14(21-15)20-13-3-5-16(18,19)6-4-13;1-4(6)5-7-2-3-8-5/h8-12,15-16H,4-7H2,1-3H3,(H2,25,26,27);7-9,13H,3-6H2,1-2H3,(H,20,21);2-4H,6H2,1H3.

What are the key properties of 4-chloro-N-(4,4-difluorocyclohexyl)-6-(3,5-dimethylpyrazol-1-yl)pyridin-2-amine;2-N-(4,4-difluorocyclohexyl)-6-(3,5-dimethylpyrazol-1-yl)-4-N-[1-(1,3-thiazol-2-yl)ethyl]pyridine-2,4-diamine;1-(1,3-thiazol-2-yl)ethanamine?

4-chloro-N-(4,4-difluorocyclohexyl)-6-(3,5-dimethylpyrazol-1-yl)pyridin-2-amine;2-N-(4,4-difluorocyclohexyl)-6-(3,5-dimethylpyrazol-1-yl)-4-N-[1-(1,3-thiazol-2-yl)ethyl]pyridine-2,4-diamine;1-(1,3-thiazol-2-yl)ethanamine has a molecular weight of 901.55 g/mol, XLogP of 11.19, 10 rotatable bonds, 4 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 4-chloro-N-(4,4-difluorocyclohexyl)-6-(3,5-dimethylpyrazol-1-yl)pyridin-2-amine;2-N-(4,4-difluorocyclohexyl)-6-(3,5-dimethylpyrazol-1-yl)-4-N-[1-(1,3-thiazol-2-yl)ethyl]pyridine-2,4-diamine;1-(1,3-thiazol-2-yl)ethanamine is sourced from PubChem (CID 161175907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).