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

C17H19F7N6S — CID 137151634

IUPAC6-(3,3-difluorocyclopentyl)-2-(3,3-difluorocyclopentyl)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)C2)N/C(=N/C2CCC(F)(F)C2)N1
InChIInChI=1S/C17H19F7N6S/c18-14(19)3-1-8(5-14)16(11-27-10(7-31-11)17(22,23)24)29-12(25)28-13(30-16)26-9-2-4-15(20,21)6-9/h7-9H,1-6H2,(H4,25,26,28,29,30)
InChIKeyOCEFOQVQLKSBPA-UHFFFAOYSA-N
MW472.43 g/mol
LogP3.80
Rot. Bonds3

About 6-(3,3-difluorocyclopentyl)-2-(3,3-difluorocyclopentyl)imino-6-[4-(trifluoromethyl)-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-(trifluoromethyl)-1,3-thiazol-2-yl]-1,3-dihydro-1,3,5-triazin-4-amine (PubChem CID 137151634) has the molecular formula C17H19F7N6S and a molecular weight of 472.43 g/mol. Its IUPAC name is 6-(3,3-difluorocyclopentyl)-2-(3,3-difluorocyclopentyl)imino-6-[4-(trifluoromethyl)-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-(trifluoromethyl)-1,3-thiazol-2-yl]-1,3-dihydro-1,3,5-triazin-4-amine
PubChem CID137151634
Molecular FormulaC17H19F7N6S
Molecular Weight472.43 g/mol
Exact Mass472.13
IUPAC Name6-(3,3-difluorocyclopentyl)-2-(3,3-difluorocyclopentyl)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)C2)N/C(=N/C2CCC(F)(F)C2)N1
InChIInChI=1S/C17H19F7N6S/c18-14(19)3-1-8(5-14)16(11-27-10(7-31-11)17(22,23)24)29-12(25)28-13(30-16)26-9-2-4-15(20,21)6-9/h7-9H,1-6H2,(H4,25,26,28,29,30)
InChIKeyOCEFOQVQLKSBPA-UHFFFAOYSA-N
XLogP3.80
TPSA87.69 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.43
LogP ≤ 53.80
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-(trifluoromethyl)-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-(trifluoromethyl)-1,3-thiazol-2-yl]-1,3-dihydro-1,3,5-triazin-4-amine (CID 137151634) is 6-(3,3-difluorocyclopentyl)-2-(3,3-difluorocyclopentyl)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-(3,3-difluorocyclopentyl)-2-(3,3-difluorocyclopentyl)imino-6-[4-(trifluoromethyl)-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-(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)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-(trifluoromethyl)-1,3-thiazol-2-yl]-1,3-dihydro-1,3,5-triazin-4-amine?
The InChIKey is OCEFOQVQLKSBPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F7N6S/c18-14(19)3-1-8(5-14)16(11-27-10(7-31-11)17(22,23)24)29-12(25)28-13(30-16)26-9-2-4-15(20,21)6-9/h7-9H,1-6H2,(H4,25,26,28,29,30).
What are the key properties of 6-(3,3-difluorocyclopentyl)-2-(3,3-difluorocyclopentyl)imino-6-[4-(trifluoromethyl)-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-(trifluoromethyl)-1,3-thiazol-2-yl]-1,3-dihydro-1,3,5-triazin-4-amine has a molecular weight of 472.43 g/mol, XLogP of 3.80, 3 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-(trifluoromethyl)-1,3-thiazol-2-yl]-1,3-dihydro-1,3,5-triazin-4-amine is sourced from PubChem (CID 137151634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).