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

C19H23F7N6S — CID 137151615

IUPAC6-(4,4-difluorocyclohexyl)-2-(4,4-difluorocyclohexyl)imino-6-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-1,3-dihydro-1,3,5-triazin-4-amine
SMILESNC1=NC(c2nc(C(F)(F)F)cs2)(C2CCC(F)(F)CC2)N/C(=N/C2CCC(F)(F)CC2)N1
InChIInChI=1S/C19H23F7N6S/c20-16(21)5-1-10(2-6-16)18(13-29-12(9-33-13)19(24,25)26)31-14(27)30-15(32-18)28-11-3-7-17(22,23)8-4-11/h9-11H,1-8H2,(H4,27,28,30,31,32)
InChIKeyOFTNXKXPTXKTGI-UHFFFAOYSA-N
MW500.49 g/mol
LogP4.58
Rot. Bonds3

About 6-(4,4-difluorocyclohexyl)-2-(4,4-difluorocyclohexyl)imino-6-[4-(trifluoromethyl)-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-(trifluoromethyl)-1,3-thiazol-2-yl]-1,3-dihydro-1,3,5-triazin-4-amine (PubChem CID 137151615) has the molecular formula C19H23F7N6S and a molecular weight of 500.49 g/mol. Its IUPAC name is 6-(4,4-difluorocyclohexyl)-2-(4,4-difluorocyclohexyl)imino-6-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-1,3-dihydro-1,3,5-triazin-4-amine.

Molecular Properties

Compound Name6-(4,4-difluorocyclohexyl)-2-(4,4-difluorocyclohexyl)imino-6-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-1,3-dihydro-1,3,5-triazin-4-amine
PubChem CID137151615
Molecular FormulaC19H23F7N6S
Molecular Weight500.49 g/mol
Exact Mass500.16
IUPAC Name6-(4,4-difluorocyclohexyl)-2-(4,4-difluorocyclohexyl)imino-6-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-1,3-dihydro-1,3,5-triazin-4-amine
SMILESNC1=NC(c2nc(C(F)(F)F)cs2)(C2CCC(F)(F)CC2)N/C(=N/C2CCC(F)(F)CC2)N1
InChIInChI=1S/C19H23F7N6S/c20-16(21)5-1-10(2-6-16)18(13-29-12(9-33-13)19(24,25)26)31-14(27)30-15(32-18)28-11-3-7-17(22,23)8-4-11/h9-11H,1-8H2,(H4,27,28,30,31,32)
InChIKeyOFTNXKXPTXKTGI-UHFFFAOYSA-N
XLogP4.58
TPSA87.69 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500500.49
LogP ≤ 54.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 6-(4,4-difluorocyclohexyl)-2-(4,4-difluorocyclohexyl)imino-6-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-1,3-dihydro-1,3,5-triazin-4-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-(4,4-difluorocyclohexyl)-2-(4,4-difluorocyclohexyl)imino-6-[4-(trifluoromethyl)-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-(trifluoromethyl)-1,3-thiazol-2-yl]-1,3-dihydro-1,3,5-triazin-4-amine (CID 137151615) is 6-(4,4-difluorocyclohexyl)-2-(4,4-difluorocyclohexyl)imino-6-[4-(trifluoromethyl)-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-(trifluoromethyl)-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-(trifluoromethyl)-1,3-thiazol-2-yl]-1,3-dihydro-1,3,5-triazin-4-amine is NC1=NC(c2nc(C(F)(F)F)cs2)(C2CCC(F)(F)CC2)N/C(=N/C2CCC(F)(F)CC2)N1.
What is the InChIKey of 6-(4,4-difluorocyclohexyl)-2-(4,4-difluorocyclohexyl)imino-6-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-1,3-dihydro-1,3,5-triazin-4-amine?
The InChIKey is OFTNXKXPTXKTGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23F7N6S/c20-16(21)5-1-10(2-6-16)18(13-29-12(9-33-13)19(24,25)26)31-14(27)30-15(32-18)28-11-3-7-17(22,23)8-4-11/h9-11H,1-8H2,(H4,27,28,30,31,32).
What are the key properties of 6-(4,4-difluorocyclohexyl)-2-(4,4-difluorocyclohexyl)imino-6-[4-(trifluoromethyl)-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-(trifluoromethyl)-1,3-thiazol-2-yl]-1,3-dihydro-1,3,5-triazin-4-amine has a molecular weight of 500.49 g/mol, XLogP of 4.58, 3 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-(trifluoromethyl)-1,3-thiazol-2-yl]-1,3-dihydro-1,3,5-triazin-4-amine is sourced from PubChem (CID 137151615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).