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

C15H16F6N6S — CID 158244882

IUPAC4-(3,3-difluorocyclobutyl)-2-(3,3-difluorocyclobutyl)imino-6-[4-(difluoromethyl)-1,3-thiazol-2-yl]-1,3-dihydro-1,3,5-triazin-4-amine
SMILESNC1(C2CC(F)(F)C2)N=C(c2nc(C(F)F)cs2)N/C(=N\C2CC(F)(F)C2)N1
InChIInChI=1S/C15H16F6N6S/c16-9(17)8-5-28-11(24-8)10-25-12(23-7-3-14(20,21)4-7)27-15(22,26-10)6-1-13(18,19)2-6/h5-7,9H,1-4,22H2,(H2,23,25,26,27)
InChIKeyGFZOEZBMWLWGPF-UHFFFAOYSA-N
MW426.39 g/mol
LogP2.83
Rot. Bonds4

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

4-(3,3-difluorocyclobutyl)-2-(3,3-difluorocyclobutyl)imino-6-[4-(difluoromethyl)-1,3-thiazol-2-yl]-1,3-dihydro-1,3,5-triazin-4-amine (PubChem CID 158244882) has the molecular formula C15H16F6N6S and a molecular weight of 426.39 g/mol. Its IUPAC name is 4-(3,3-difluorocyclobutyl)-2-(3,3-difluorocyclobutyl)imino-6-[4-(difluoromethyl)-1,3-thiazol-2-yl]-1,3-dihydro-1,3,5-triazin-4-amine.

Molecular Properties

Compound Name4-(3,3-difluorocyclobutyl)-2-(3,3-difluorocyclobutyl)imino-6-[4-(difluoromethyl)-1,3-thiazol-2-yl]-1,3-dihydro-1,3,5-triazin-4-amine
PubChem CID158244882
Molecular FormulaC15H16F6N6S
Molecular Weight426.39 g/mol
Exact Mass426.11
IUPAC Name4-(3,3-difluorocyclobutyl)-2-(3,3-difluorocyclobutyl)imino-6-[4-(difluoromethyl)-1,3-thiazol-2-yl]-1,3-dihydro-1,3,5-triazin-4-amine
SMILESNC1(C2CC(F)(F)C2)N=C(c2nc(C(F)F)cs2)N/C(=N\C2CC(F)(F)C2)N1
InChIInChI=1S/C15H16F6N6S/c16-9(17)8-5-28-11(24-8)10-25-12(23-7-3-14(20,21)4-7)27-15(22,26-10)6-1-13(18,19)2-6/h5-7,9H,1-4,22H2,(H2,23,25,26,27)
InChIKeyGFZOEZBMWLWGPF-UHFFFAOYSA-N
XLogP2.83
TPSA87.69 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.39
LogP ≤ 52.83
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 4-(3,3-difluorocyclobutyl)-2-(3,3-difluorocyclobutyl)imino-6-[4-(difluoromethyl)-1,3-thiazol-2-yl]-1,3-dihydro-1,3,5-triazin-4-amine?
The IUPAC name of 4-(3,3-difluorocyclobutyl)-2-(3,3-difluorocyclobutyl)imino-6-[4-(difluoromethyl)-1,3-thiazol-2-yl]-1,3-dihydro-1,3,5-triazin-4-amine (CID 158244882) is 4-(3,3-difluorocyclobutyl)-2-(3,3-difluorocyclobutyl)imino-6-[4-(difluoromethyl)-1,3-thiazol-2-yl]-1,3-dihydro-1,3,5-triazin-4-amine.
What is the SMILES notation for 4-(3,3-difluorocyclobutyl)-2-(3,3-difluorocyclobutyl)imino-6-[4-(difluoromethyl)-1,3-thiazol-2-yl]-1,3-dihydro-1,3,5-triazin-4-amine?
The canonical SMILES for 4-(3,3-difluorocyclobutyl)-2-(3,3-difluorocyclobutyl)imino-6-[4-(difluoromethyl)-1,3-thiazol-2-yl]-1,3-dihydro-1,3,5-triazin-4-amine is NC1(C2CC(F)(F)C2)N=C(c2nc(C(F)F)cs2)N/C(=N\C2CC(F)(F)C2)N1.
What is the InChIKey of 4-(3,3-difluorocyclobutyl)-2-(3,3-difluorocyclobutyl)imino-6-[4-(difluoromethyl)-1,3-thiazol-2-yl]-1,3-dihydro-1,3,5-triazin-4-amine?
The InChIKey is GFZOEZBMWLWGPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F6N6S/c16-9(17)8-5-28-11(24-8)10-25-12(23-7-3-14(20,21)4-7)27-15(22,26-10)6-1-13(18,19)2-6/h5-7,9H,1-4,22H2,(H2,23,25,26,27).
What are the key properties of 4-(3,3-difluorocyclobutyl)-2-(3,3-difluorocyclobutyl)imino-6-[4-(difluoromethyl)-1,3-thiazol-2-yl]-1,3-dihydro-1,3,5-triazin-4-amine?
4-(3,3-difluorocyclobutyl)-2-(3,3-difluorocyclobutyl)imino-6-[4-(difluoromethyl)-1,3-thiazol-2-yl]-1,3-dihydro-1,3,5-triazin-4-amine has a molecular weight of 426.39 g/mol, XLogP of 2.83, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,3-difluorocyclobutyl)-2-(3,3-difluorocyclobutyl)imino-6-[4-(difluoromethyl)-1,3-thiazol-2-yl]-1,3-dihydro-1,3,5-triazin-4-amine is sourced from PubChem (CID 158244882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).