6-(4,4-difluorocyclohexyl)-2-(4,4-difluorocyclohexyl)imino-6-[4-(1,1-difluoroethyl)-1,3-thiazol-2-yl]-1,3-dihydro-1,3,5-triazin-4-amine

C20H26F6N6S — CID 137151611

About 6-(4,4-difluorocyclohexyl)-2-(4,4-difluorocyclohexyl)imino-6-[4-(1,1-difluoroethyl)-1,3-thiazol-2-yl]-1,3-dihydro-1,3,5-triazin-4-amine

6-(4,4-difluorocyclohexyl)-2-(4,4-difluorocyclohexyl)imino-6-[4-(1,1-difluoroethyl)-1,3-thiazol-2-yl]-1,3-dihydro-1,3,5-triazin-4-amine (PubChem CID 137151611) has the molecular formula C20H26F6N6S and a molecular weight of 496.53 g/mol. Its IUPAC name is 6-(4,4-difluorocyclohexyl)-2-(4,4-difluorocyclohexyl)imino-6-[4-(1,1-difluoroethyl)-1,3-thiazol-2-yl]-1,3-dihydro-1,3,5-triazin-4-amine.

Molecular Properties

• Compound Name: 6-(4,4-difluorocyclohexyl)-2-(4,4-difluorocyclohexyl)imino-6-[4-(1,1-difluoroethyl)-1,3-thiazol-2-yl]-1,3-dihydro-1,3,5-triazin-4-amine
• PubChem CID: 137151611
• Molecular Formula: C20H26F6N6S
• Molecular Weight: 496.53 g/mol
• Exact Mass: 496.18
• IUPAC Name: 6-(4,4-difluorocyclohexyl)-2-(4,4-difluorocyclohexyl)imino-6-[4-(1,1-difluoroethyl)-1,3-thiazol-2-yl]-1,3-dihydro-1,3,5-triazin-4-amine
• SMILES: CC(F)(F)c1csc(C2(C3CCC(F)(F)CC3)N=C(N)N/C(=N\C3CCC(F)(F)CC3)N2)n1
• InChI: InChI=1S/C20H26F6N6S/c1-17(21,22)13-10-33-14(29-13)20(11-2-6-18(23,24)7-3-11)31-15(27)30-16(32-20)28-12-4-8-19(25,26)9-5-12/h10-12H,2-9H2,1H3,(H4,27,28,30,31,32)
• InChIKey: UPFPRGIUAZUVDJ-UHFFFAOYSA-N
• XLogP: 4.67
• TPSA: 87.69 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	496.53
LogP ≤ 5	4.67
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-(4,4-difluorocyclohexyl)-2-(4,4-difluorocyclohexyl)imino-6-[4-(1,1-difluoroethyl)-1,3-thiazol-2-yl]-1,3-dihydro-1,3,5-triazin-4-amine?

The IUPAC name of 6-(4,4-difluorocyclohexyl)-2-(4,4-difluorocyclohexyl)imino-6-[4-(1,1-difluoroethyl)-1,3-thiazol-2-yl]-1,3-dihydro-1,3,5-triazin-4-amine (CID 137151611) is 6-(4,4-difluorocyclohexyl)-2-(4,4-difluorocyclohexyl)imino-6-[4-(1,1-difluoroethyl)-1,3-thiazol-2-yl]-1,3-dihydro-1,3,5-triazin-4-amine.

What is the SMILES notation for 6-(4,4-difluorocyclohexyl)-2-(4,4-difluorocyclohexyl)imino-6-[4-(1,1-difluoroethyl)-1,3-thiazol-2-yl]-1,3-dihydro-1,3,5-triazin-4-amine?

The canonical SMILES for 6-(4,4-difluorocyclohexyl)-2-(4,4-difluorocyclohexyl)imino-6-[4-(1,1-difluoroethyl)-1,3-thiazol-2-yl]-1,3-dihydro-1,3,5-triazin-4-amine is CC(F)(F)c1csc(C2(C3CCC(F)(F)CC3)N=C(N)N/C(=N\C3CCC(F)(F)CC3)N2)n1.

What is the InChIKey of 6-(4,4-difluorocyclohexyl)-2-(4,4-difluorocyclohexyl)imino-6-[4-(1,1-difluoroethyl)-1,3-thiazol-2-yl]-1,3-dihydro-1,3,5-triazin-4-amine?

The InChIKey is UPFPRGIUAZUVDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26F6N6S/c1-17(21,22)13-10-33-14(29-13)20(11-2-6-18(23,24)7-3-11)31-15(27)30-16(32-20)28-12-4-8-19(25,26)9-5-12/h10-12H,2-9H2,1H3,(H4,27,28,30,31,32).

What are the key properties of 6-(4,4-difluorocyclohexyl)-2-(4,4-difluorocyclohexyl)imino-6-[4-(1,1-difluoroethyl)-1,3-thiazol-2-yl]-1,3-dihydro-1,3,5-triazin-4-amine?

6-(4,4-difluorocyclohexyl)-2-(4,4-difluorocyclohexyl)imino-6-[4-(1,1-difluoroethyl)-1,3-thiazol-2-yl]-1,3-dihydro-1,3,5-triazin-4-amine has a molecular weight of 496.53 g/mol, XLogP of 4.67, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(4,4-difluorocyclohexyl)-2-(4,4-difluorocyclohexyl)imino-6-[4-(1,1-difluoroethyl)-1,3-thiazol-2-yl]-1,3-dihydro-1,3,5-triazin-4-amine is sourced from PubChem (CID 137151611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).