6-(4,4-difluorocyclohexyl)-2-(4,4-difluorocyclohexyl)imino-6-(3-methyl-1,2,4-thiadiazol-5-yl)-1,3-dihydro-1,3,5-triazin-4-amine

C18H25F4N7S — CID 136981905

IUPAC6-(4,4-difluorocyclohexyl)-2-(4,4-difluorocyclohexyl)imino-6-(3-methyl-1,2,4-thiadiazol-5-yl)-1,3-dihydro-1,3,5-triazin-4-amine
SMILESCc1nsc(C2(C3CCC(F)(F)CC3)N=C(N)N/C(=N\C3CCC(F)(F)CC3)N2)n1
InChIInChI=1S/C18H25F4N7S/c1-10-24-13(30-29-10)18(11-2-6-16(19,20)7-3-11)27-14(23)26-15(28-18)25-12-4-8-17(21,22)9-5-12/h11-12H,2-9H2,1H3,(H4,23,25,26,27,28)
InChIKeyWILVXZKBZILWSF-UHFFFAOYSA-N
MW447.51 g/mol
LogP3.27
Rot. Bonds3

About 6-(4,4-difluorocyclohexyl)-2-(4,4-difluorocyclohexyl)imino-6-(3-methyl-1,2,4-thiadiazol-5-yl)-1,3-dihydro-1,3,5-triazin-4-amine

6-(4,4-difluorocyclohexyl)-2-(4,4-difluorocyclohexyl)imino-6-(3-methyl-1,2,4-thiadiazol-5-yl)-1,3-dihydro-1,3,5-triazin-4-amine (PubChem CID 136981905) has the molecular formula C18H25F4N7S and a molecular weight of 447.51 g/mol. Its IUPAC name is 6-(4,4-difluorocyclohexyl)-2-(4,4-difluorocyclohexyl)imino-6-(3-methyl-1,2,4-thiadiazol-5-yl)-1,3-dihydro-1,3,5-triazin-4-amine.

Molecular Properties

Compound Name6-(4,4-difluorocyclohexyl)-2-(4,4-difluorocyclohexyl)imino-6-(3-methyl-1,2,4-thiadiazol-5-yl)-1,3-dihydro-1,3,5-triazin-4-amine
PubChem CID136981905
Molecular FormulaC18H25F4N7S
Molecular Weight447.51 g/mol
Exact Mass447.18
IUPAC Name6-(4,4-difluorocyclohexyl)-2-(4,4-difluorocyclohexyl)imino-6-(3-methyl-1,2,4-thiadiazol-5-yl)-1,3-dihydro-1,3,5-triazin-4-amine
SMILESCc1nsc(C2(C3CCC(F)(F)CC3)N=C(N)N/C(=N\C3CCC(F)(F)CC3)N2)n1
InChIInChI=1S/C18H25F4N7S/c1-10-24-13(30-29-10)18(11-2-6-16(19,20)7-3-11)27-14(23)26-15(28-18)25-12-4-8-17(21,22)9-5-12/h11-12H,2-9H2,1H3,(H4,23,25,26,27,28)
InChIKeyWILVXZKBZILWSF-UHFFFAOYSA-N
XLogP3.27
TPSA100.58 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.51
LogP ≤ 53.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 6-(4,4-difluorocyclohexyl)-2-(4,4-difluorocyclohexyl)imino-6-(3-methyl-1,2,4-thiadiazol-5-yl)-1,3-dihydro-1,3,5-triazin-4-amine with MolForge

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Related Compounds

2-N,4-N-bis(4,4-difluorocyclohexyl)-6-(3-methyl-1,2,4-thiadiazol-5-yl)-1,3,5-triazine-2,4-diamine
CID 117817331
2-N,4-N-bis(4,4-difluorocyclohexyl)-6-(3-methyl-1,2,4-thiadiazol-5-yl)-1,3,5-triazine-2,4-diamine;methane
CID 159103460
1-cyclohexyl-N-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]ethane-1,2-diamine
CID 107305468

Frequently Asked Questions

What is the IUPAC name of 6-(4,4-difluorocyclohexyl)-2-(4,4-difluorocyclohexyl)imino-6-(3-methyl-1,2,4-thiadiazol-5-yl)-1,3-dihydro-1,3,5-triazin-4-amine?
The IUPAC name of 6-(4,4-difluorocyclohexyl)-2-(4,4-difluorocyclohexyl)imino-6-(3-methyl-1,2,4-thiadiazol-5-yl)-1,3-dihydro-1,3,5-triazin-4-amine (CID 136981905) is 6-(4,4-difluorocyclohexyl)-2-(4,4-difluorocyclohexyl)imino-6-(3-methyl-1,2,4-thiadiazol-5-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-(3-methyl-1,2,4-thiadiazol-5-yl)-1,3-dihydro-1,3,5-triazin-4-amine?
The canonical SMILES for 6-(4,4-difluorocyclohexyl)-2-(4,4-difluorocyclohexyl)imino-6-(3-methyl-1,2,4-thiadiazol-5-yl)-1,3-dihydro-1,3,5-triazin-4-amine is Cc1nsc(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-(3-methyl-1,2,4-thiadiazol-5-yl)-1,3-dihydro-1,3,5-triazin-4-amine?
The InChIKey is WILVXZKBZILWSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25F4N7S/c1-10-24-13(30-29-10)18(11-2-6-16(19,20)7-3-11)27-14(23)26-15(28-18)25-12-4-8-17(21,22)9-5-12/h11-12H,2-9H2,1H3,(H4,23,25,26,27,28).
What are the key properties of 6-(4,4-difluorocyclohexyl)-2-(4,4-difluorocyclohexyl)imino-6-(3-methyl-1,2,4-thiadiazol-5-yl)-1,3-dihydro-1,3,5-triazin-4-amine?
6-(4,4-difluorocyclohexyl)-2-(4,4-difluorocyclohexyl)imino-6-(3-methyl-1,2,4-thiadiazol-5-yl)-1,3-dihydro-1,3,5-triazin-4-amine has a molecular weight of 447.51 g/mol, XLogP of 3.27, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4,4-difluorocyclohexyl)-2-(4,4-difluorocyclohexyl)imino-6-(3-methyl-1,2,4-thiadiazol-5-yl)-1,3-dihydro-1,3,5-triazin-4-amine is sourced from PubChem (CID 136981905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).