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

C18H22F6N6S — CID 137151652

IUPAC6-(3,3-difluorocyclopentyl)-2-(3,3-difluorocyclopentyl)imino-6-[2-(1,1-difluoroethyl)-1,3-thiazol-4-yl]-1,3-dihydro-1,3,5-triazin-4-amine
SMILESCC(F)(F)c1nc(C2(C3CCC(F)(F)C3)N=C(N)N/C(=N\C3CCC(F)(F)C3)N2)cs1
InChIInChI=1S/C18H22F6N6S/c1-15(19,20)12-27-11(8-31-12)18(9-2-4-16(21,22)6-9)29-13(25)28-14(30-18)26-10-3-5-17(23,24)7-10/h8-10H,2-7H2,1H3,(H4,25,26,28,29,30)
InChIKeyBYONCMBZPKOBAK-UHFFFAOYSA-N
MW468.47 g/mol
LogP3.89
Rot. Bonds4

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

6-(3,3-difluorocyclopentyl)-2-(3,3-difluorocyclopentyl)imino-6-[2-(1,1-difluoroethyl)-1,3-thiazol-4-yl]-1,3-dihydro-1,3,5-triazin-4-amine (PubChem CID 137151652) has the molecular formula C18H22F6N6S and a molecular weight of 468.47 g/mol. Its IUPAC name is 6-(3,3-difluorocyclopentyl)-2-(3,3-difluorocyclopentyl)imino-6-[2-(1,1-difluoroethyl)-1,3-thiazol-4-yl]-1,3-dihydro-1,3,5-triazin-4-amine.

Molecular Properties

Compound Name6-(3,3-difluorocyclopentyl)-2-(3,3-difluorocyclopentyl)imino-6-[2-(1,1-difluoroethyl)-1,3-thiazol-4-yl]-1,3-dihydro-1,3,5-triazin-4-amine
PubChem CID137151652
Molecular FormulaC18H22F6N6S
Molecular Weight468.47 g/mol
Exact Mass468.15
IUPAC Name6-(3,3-difluorocyclopentyl)-2-(3,3-difluorocyclopentyl)imino-6-[2-(1,1-difluoroethyl)-1,3-thiazol-4-yl]-1,3-dihydro-1,3,5-triazin-4-amine
SMILESCC(F)(F)c1nc(C2(C3CCC(F)(F)C3)N=C(N)N/C(=N\C3CCC(F)(F)C3)N2)cs1
InChIInChI=1S/C18H22F6N6S/c1-15(19,20)12-27-11(8-31-12)18(9-2-4-16(21,22)6-9)29-13(25)28-14(30-18)26-10-3-5-17(23,24)7-10/h8-10H,2-7H2,1H3,(H4,25,26,28,29,30)
InChIKeyBYONCMBZPKOBAK-UHFFFAOYSA-N
XLogP3.89
TPSA87.69 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.47
LogP ≤ 53.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-(3,3-difluorocyclopentyl)-2-(3,3-difluorocyclopentyl)imino-6-[2-(1,1-difluoroethyl)-1,3-thiazol-4-yl]-1,3-dihydro-1,3,5-triazin-4-amine?
The IUPAC name of 6-(3,3-difluorocyclopentyl)-2-(3,3-difluorocyclopentyl)imino-6-[2-(1,1-difluoroethyl)-1,3-thiazol-4-yl]-1,3-dihydro-1,3,5-triazin-4-amine (CID 137151652) is 6-(3,3-difluorocyclopentyl)-2-(3,3-difluorocyclopentyl)imino-6-[2-(1,1-difluoroethyl)-1,3-thiazol-4-yl]-1,3-dihydro-1,3,5-triazin-4-amine.
What is the SMILES notation for 6-(3,3-difluorocyclopentyl)-2-(3,3-difluorocyclopentyl)imino-6-[2-(1,1-difluoroethyl)-1,3-thiazol-4-yl]-1,3-dihydro-1,3,5-triazin-4-amine?
The canonical SMILES for 6-(3,3-difluorocyclopentyl)-2-(3,3-difluorocyclopentyl)imino-6-[2-(1,1-difluoroethyl)-1,3-thiazol-4-yl]-1,3-dihydro-1,3,5-triazin-4-amine is CC(F)(F)c1nc(C2(C3CCC(F)(F)C3)N=C(N)N/C(=N\C3CCC(F)(F)C3)N2)cs1.
What is the InChIKey of 6-(3,3-difluorocyclopentyl)-2-(3,3-difluorocyclopentyl)imino-6-[2-(1,1-difluoroethyl)-1,3-thiazol-4-yl]-1,3-dihydro-1,3,5-triazin-4-amine?
The InChIKey is BYONCMBZPKOBAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22F6N6S/c1-15(19,20)12-27-11(8-31-12)18(9-2-4-16(21,22)6-9)29-13(25)28-14(30-18)26-10-3-5-17(23,24)7-10/h8-10H,2-7H2,1H3,(H4,25,26,28,29,30).
What are the key properties of 6-(3,3-difluorocyclopentyl)-2-(3,3-difluorocyclopentyl)imino-6-[2-(1,1-difluoroethyl)-1,3-thiazol-4-yl]-1,3-dihydro-1,3,5-triazin-4-amine?
6-(3,3-difluorocyclopentyl)-2-(3,3-difluorocyclopentyl)imino-6-[2-(1,1-difluoroethyl)-1,3-thiazol-4-yl]-1,3-dihydro-1,3,5-triazin-4-amine has a molecular weight of 468.47 g/mol, XLogP of 3.89, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,3-difluorocyclopentyl)-2-(3,3-difluorocyclopentyl)imino-6-[2-(1,1-difluoroethyl)-1,3-thiazol-4-yl]-1,3-dihydro-1,3,5-triazin-4-amine is sourced from PubChem (CID 137151652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).