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

C16H18F6N6S — CID 136981917

IUPAC6-(3,3-difluorocyclobutyl)-2-(3,3-difluorocyclobutyl)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(C3CC(F)(F)C3)N=C(N)N/C(=N\C3CC(F)(F)C3)N2)cs1
InChIInChI=1S/C16H18F6N6S/c1-13(17,18)10-25-9(6-29-10)16(7-2-14(19,20)3-7)27-11(23)26-12(28-16)24-8-4-15(21,22)5-8/h6-8H,2-5H2,1H3,(H4,23,24,26,27,28)
InChIKeyPYAKCKWIYGACDQ-UHFFFAOYSA-N
MW440.42 g/mol
LogP3.11
Rot. Bonds4

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

6-(3,3-difluorocyclobutyl)-2-(3,3-difluorocyclobutyl)imino-6-[2-(1,1-difluoroethyl)-1,3-thiazol-4-yl]-1,3-dihydro-1,3,5-triazin-4-amine (PubChem CID 136981917) has the molecular formula C16H18F6N6S and a molecular weight of 440.42 g/mol. Its IUPAC name is 6-(3,3-difluorocyclobutyl)-2-(3,3-difluorocyclobutyl)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-difluorocyclobutyl)-2-(3,3-difluorocyclobutyl)imino-6-[2-(1,1-difluoroethyl)-1,3-thiazol-4-yl]-1,3-dihydro-1,3,5-triazin-4-amine
PubChem CID136981917
Molecular FormulaC16H18F6N6S
Molecular Weight440.42 g/mol
Exact Mass440.12
IUPAC Name6-(3,3-difluorocyclobutyl)-2-(3,3-difluorocyclobutyl)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(C3CC(F)(F)C3)N=C(N)N/C(=N\C3CC(F)(F)C3)N2)cs1
InChIInChI=1S/C16H18F6N6S/c1-13(17,18)10-25-9(6-29-10)16(7-2-14(19,20)3-7)27-11(23)26-12(28-16)24-8-4-15(21,22)5-8/h6-8H,2-5H2,1H3,(H4,23,24,26,27,28)
InChIKeyPYAKCKWIYGACDQ-UHFFFAOYSA-N
XLogP3.11
TPSA87.69 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.42
LogP ≤ 53.11
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-[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-difluorocyclobutyl)-2-(3,3-difluorocyclobutyl)imino-6-[2-(1,1-difluoroethyl)-1,3-thiazol-4-yl]-1,3-dihydro-1,3,5-triazin-4-amine (CID 136981917) is 6-(3,3-difluorocyclobutyl)-2-(3,3-difluorocyclobutyl)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-difluorocyclobutyl)-2-(3,3-difluorocyclobutyl)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-difluorocyclobutyl)-2-(3,3-difluorocyclobutyl)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(C3CC(F)(F)C3)N=C(N)N/C(=N\C3CC(F)(F)C3)N2)cs1.
What is the InChIKey of 6-(3,3-difluorocyclobutyl)-2-(3,3-difluorocyclobutyl)imino-6-[2-(1,1-difluoroethyl)-1,3-thiazol-4-yl]-1,3-dihydro-1,3,5-triazin-4-amine?
The InChIKey is PYAKCKWIYGACDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F6N6S/c1-13(17,18)10-25-9(6-29-10)16(7-2-14(19,20)3-7)27-11(23)26-12(28-16)24-8-4-15(21,22)5-8/h6-8H,2-5H2,1H3,(H4,23,24,26,27,28).
What are the key properties of 6-(3,3-difluorocyclobutyl)-2-(3,3-difluorocyclobutyl)imino-6-[2-(1,1-difluoroethyl)-1,3-thiazol-4-yl]-1,3-dihydro-1,3,5-triazin-4-amine?
6-(3,3-difluorocyclobutyl)-2-(3,3-difluorocyclobutyl)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 440.42 g/mol, XLogP of 3.11, 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-[2-(1,1-difluoroethyl)-1,3-thiazol-4-yl]-1,3-dihydro-1,3,5-triazin-4-amine is sourced from PubChem (CID 136981917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).