6-(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 136981899

IUPAC6-(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=NC(c2nc(C(F)F)cs2)(C2CC(F)(F)C2)N/C(=N/C2CC(F)(F)C2)N1
InChIInChI=1S/C15H16F6N6S/c16-9(17)8-5-28-10(24-8)15(6-1-13(18,19)2-6)26-11(22)25-12(27-15)23-7-3-14(20,21)4-7/h5-7,9H,1-4H2,(H4,22,23,25,26,27)
InChIKeyAXVHSCAJXXUBGT-UHFFFAOYSA-N
MW426.39 g/mol
LogP2.94
Rot. Bonds4

About 6-(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

6-(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 136981899) has the molecular formula C15H16F6N6S and a molecular weight of 426.39 g/mol. Its IUPAC name is 6-(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 Name6-(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 CID136981899
Molecular FormulaC15H16F6N6S
Molecular Weight426.39 g/mol
Exact Mass426.11
IUPAC Name6-(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=NC(c2nc(C(F)F)cs2)(C2CC(F)(F)C2)N/C(=N/C2CC(F)(F)C2)N1
InChIInChI=1S/C15H16F6N6S/c16-9(17)8-5-28-10(24-8)15(6-1-13(18,19)2-6)26-11(22)25-12(27-15)23-7-3-14(20,21)4-7/h5-7,9H,1-4H2,(H4,22,23,25,26,27)
InChIKeyAXVHSCAJXXUBGT-UHFFFAOYSA-N
XLogP2.94
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 ≤ 52.94
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-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 6-(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 136981899) is 6-(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 6-(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 6-(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=NC(c2nc(C(F)F)cs2)(C2CC(F)(F)C2)N/C(=N/C2CC(F)(F)C2)N1.
What is the InChIKey of 6-(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 AXVHSCAJXXUBGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F6N6S/c16-9(17)8-5-28-10(24-8)15(6-1-13(18,19)2-6)26-11(22)25-12(27-15)23-7-3-14(20,21)4-7/h5-7,9H,1-4H2,(H4,22,23,25,26,27).
What are the key properties of 6-(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?
6-(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 2.94, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(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 136981899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).