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

C19H24F6N6S — CID 137141148

IUPAC6-(4,4-difluorocyclohexyl)-2-(4,4-difluorocyclohexyl)imino-6-[4-(difluoromethyl)-1,3-thiazol-2-yl]-1,3-dihydro-1,3,5-triazin-4-amine
SMILESNC1=NC(c2nc(C(F)F)cs2)(C2CCC(F)(F)CC2)N/C(=N/C2CCC(F)(F)CC2)N1
InChIInChI=1S/C19H24F6N6S/c20-13(21)12-9-32-14(28-12)19(10-1-5-17(22,23)6-2-10)30-15(26)29-16(31-19)27-11-3-7-18(24,25)8-4-11/h9-11,13H,1-8H2,(H4,26,27,29,30,31)
InChIKeyPRTGPYAYLGFLHD-UHFFFAOYSA-N
MW482.50 g/mol
LogP4.50
Rot. Bonds4

About 6-(4,4-difluorocyclohexyl)-2-(4,4-difluorocyclohexyl)imino-6-[4-(difluoromethyl)-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-(difluoromethyl)-1,3-thiazol-2-yl]-1,3-dihydro-1,3,5-triazin-4-amine (PubChem CID 137141148) has the molecular formula C19H24F6N6S and a molecular weight of 482.50 g/mol. Its IUPAC name is 6-(4,4-difluorocyclohexyl)-2-(4,4-difluorocyclohexyl)imino-6-[4-(difluoromethyl)-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-(difluoromethyl)-1,3-thiazol-2-yl]-1,3-dihydro-1,3,5-triazin-4-amine
PubChem CID137141148
Molecular FormulaC19H24F6N6S
Molecular Weight482.50 g/mol
Exact Mass482.17
IUPAC Name6-(4,4-difluorocyclohexyl)-2-(4,4-difluorocyclohexyl)imino-6-[4-(difluoromethyl)-1,3-thiazol-2-yl]-1,3-dihydro-1,3,5-triazin-4-amine
SMILESNC1=NC(c2nc(C(F)F)cs2)(C2CCC(F)(F)CC2)N/C(=N/C2CCC(F)(F)CC2)N1
InChIInChI=1S/C19H24F6N6S/c20-13(21)12-9-32-14(28-12)19(10-1-5-17(22,23)6-2-10)30-15(26)29-16(31-19)27-11-3-7-18(24,25)8-4-11/h9-11,13H,1-8H2,(H4,26,27,29,30,31)
InChIKeyPRTGPYAYLGFLHD-UHFFFAOYSA-N
XLogP4.50
TPSA87.69 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.50
LogP ≤ 54.50
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-(difluoromethyl)-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-(difluoromethyl)-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-(difluoromethyl)-1,3-thiazol-2-yl]-1,3-dihydro-1,3,5-triazin-4-amine (CID 137141148) is 6-(4,4-difluorocyclohexyl)-2-(4,4-difluorocyclohexyl)imino-6-[4-(difluoromethyl)-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-(difluoromethyl)-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-(difluoromethyl)-1,3-thiazol-2-yl]-1,3-dihydro-1,3,5-triazin-4-amine is NC1=NC(c2nc(C(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-(difluoromethyl)-1,3-thiazol-2-yl]-1,3-dihydro-1,3,5-triazin-4-amine?
The InChIKey is PRTGPYAYLGFLHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24F6N6S/c20-13(21)12-9-32-14(28-12)19(10-1-5-17(22,23)6-2-10)30-15(26)29-16(31-19)27-11-3-7-18(24,25)8-4-11/h9-11,13H,1-8H2,(H4,26,27,29,30,31).
What are the key properties of 6-(4,4-difluorocyclohexyl)-2-(4,4-difluorocyclohexyl)imino-6-[4-(difluoromethyl)-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-(difluoromethyl)-1,3-thiazol-2-yl]-1,3-dihydro-1,3,5-triazin-4-amine has a molecular weight of 482.50 g/mol, XLogP of 4.50, 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-(difluoromethyl)-1,3-thiazol-2-yl]-1,3-dihydro-1,3,5-triazin-4-amine is sourced from PubChem (CID 137141148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).