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

C17H20F6N6S — CID 137151619

IUPAC6-(3,3-difluorocyclopentyl)-2-(3,3-difluorocyclopentyl)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)C2)N/C(=N/C2CCC(F)(F)C2)N1
InChIInChI=1S/C17H20F6N6S/c18-11(19)10-7-30-12(26-10)17(8-1-3-15(20,21)5-8)28-13(24)27-14(29-17)25-9-2-4-16(22,23)6-9/h7-9,11H,1-6H2,(H4,24,25,27,28,29)
InChIKeyZQERGSDPJFOSLV-UHFFFAOYSA-N
MW454.44 g/mol
LogP3.72
Rot. Bonds4

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

6-(3,3-difluorocyclopentyl)-2-(3,3-difluorocyclopentyl)imino-6-[4-(difluoromethyl)-1,3-thiazol-2-yl]-1,3-dihydro-1,3,5-triazin-4-amine (PubChem CID 137151619) has the molecular formula C17H20F6N6S and a molecular weight of 454.44 g/mol. Its IUPAC name is 6-(3,3-difluorocyclopentyl)-2-(3,3-difluorocyclopentyl)imino-6-[4-(difluoromethyl)-1,3-thiazol-2-yl]-1,3-dihydro-1,3,5-triazin-4-amine.

Molecular Properties

Compound Name6-(3,3-difluorocyclopentyl)-2-(3,3-difluorocyclopentyl)imino-6-[4-(difluoromethyl)-1,3-thiazol-2-yl]-1,3-dihydro-1,3,5-triazin-4-amine
PubChem CID137151619
Molecular FormulaC17H20F6N6S
Molecular Weight454.44 g/mol
Exact Mass454.14
IUPAC Name6-(3,3-difluorocyclopentyl)-2-(3,3-difluorocyclopentyl)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)C2)N/C(=N/C2CCC(F)(F)C2)N1
InChIInChI=1S/C17H20F6N6S/c18-11(19)10-7-30-12(26-10)17(8-1-3-15(20,21)5-8)28-13(24)27-14(29-17)25-9-2-4-16(22,23)6-9/h7-9,11H,1-6H2,(H4,24,25,27,28,29)
InChIKeyZQERGSDPJFOSLV-UHFFFAOYSA-N
XLogP3.72
TPSA87.69 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.44
LogP ≤ 53.72
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-[4-(difluoromethyl)-1,3-thiazol-2-yl]-1,3-dihydro-1,3,5-triazin-4-amine?
The IUPAC name of 6-(3,3-difluorocyclopentyl)-2-(3,3-difluorocyclopentyl)imino-6-[4-(difluoromethyl)-1,3-thiazol-2-yl]-1,3-dihydro-1,3,5-triazin-4-amine (CID 137151619) is 6-(3,3-difluorocyclopentyl)-2-(3,3-difluorocyclopentyl)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-(3,3-difluorocyclopentyl)-2-(3,3-difluorocyclopentyl)imino-6-[4-(difluoromethyl)-1,3-thiazol-2-yl]-1,3-dihydro-1,3,5-triazin-4-amine?
The canonical SMILES for 6-(3,3-difluorocyclopentyl)-2-(3,3-difluorocyclopentyl)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)C2)N/C(=N/C2CCC(F)(F)C2)N1.
What is the InChIKey of 6-(3,3-difluorocyclopentyl)-2-(3,3-difluorocyclopentyl)imino-6-[4-(difluoromethyl)-1,3-thiazol-2-yl]-1,3-dihydro-1,3,5-triazin-4-amine?
The InChIKey is ZQERGSDPJFOSLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20F6N6S/c18-11(19)10-7-30-12(26-10)17(8-1-3-15(20,21)5-8)28-13(24)27-14(29-17)25-9-2-4-16(22,23)6-9/h7-9,11H,1-6H2,(H4,24,25,27,28,29).
What are the key properties of 6-(3,3-difluorocyclopentyl)-2-(3,3-difluorocyclopentyl)imino-6-[4-(difluoromethyl)-1,3-thiazol-2-yl]-1,3-dihydro-1,3,5-triazin-4-amine?
6-(3,3-difluorocyclopentyl)-2-(3,3-difluorocyclopentyl)imino-6-[4-(difluoromethyl)-1,3-thiazol-2-yl]-1,3-dihydro-1,3,5-triazin-4-amine has a molecular weight of 454.44 g/mol, XLogP of 3.72, 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-[4-(difluoromethyl)-1,3-thiazol-2-yl]-1,3-dihydro-1,3,5-triazin-4-amine is sourced from PubChem (CID 137151619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).