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

C15H15F7N6S — CID 137151608

IUPAC6-(3,3-difluorocyclobutyl)-2-(3,3-difluorocyclobutyl)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)(C2CC(F)(F)C2)N/C(=N/C2CC(F)(F)C2)N1
InChIInChI=1S/C15H15F7N6S/c16-12(17)1-6(2-12)14(9-25-8(5-29-9)15(20,21)22)27-10(23)26-11(28-14)24-7-3-13(18,19)4-7/h5-7H,1-4H2,(H4,23,24,26,27,28)
InChIKeyZMWZHRMOQBKMBN-UHFFFAOYSA-N
MW444.38 g/mol
LogP3.02
Rot. Bonds3

About 6-(3,3-difluorocyclobutyl)-2-(3,3-difluorocyclobutyl)imino-6-[4-(trifluoromethyl)-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-(trifluoromethyl)-1,3-thiazol-2-yl]-1,3-dihydro-1,3,5-triazin-4-amine (PubChem CID 137151608) has the molecular formula C15H15F7N6S and a molecular weight of 444.38 g/mol. Its IUPAC name is 6-(3,3-difluorocyclobutyl)-2-(3,3-difluorocyclobutyl)imino-6-[4-(trifluoromethyl)-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-(trifluoromethyl)-1,3-thiazol-2-yl]-1,3-dihydro-1,3,5-triazin-4-amine
PubChem CID137151608
Molecular FormulaC15H15F7N6S
Molecular Weight444.38 g/mol
Exact Mass444.10
IUPAC Name6-(3,3-difluorocyclobutyl)-2-(3,3-difluorocyclobutyl)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)(C2CC(F)(F)C2)N/C(=N/C2CC(F)(F)C2)N1
InChIInChI=1S/C15H15F7N6S/c16-12(17)1-6(2-12)14(9-25-8(5-29-9)15(20,21)22)27-10(23)26-11(28-14)24-7-3-13(18,19)4-7/h5-7H,1-4H2,(H4,23,24,26,27,28)
InChIKeyZMWZHRMOQBKMBN-UHFFFAOYSA-N
XLogP3.02
TPSA87.69 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.38
LogP ≤ 53.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 6-(3,3-difluorocyclobutyl)-2-(3,3-difluorocyclobutyl)imino-6-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-1,3-dihydro-1,3,5-triazin-4-amine with MolForge

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Related Compounds

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
6-(3,3-Difluorocyclobutyl)-2-(3,3-difluorocyclobutyl)imino-6-[2-(trifluoromethyl)-1,3-thiazol-4-yl]-1,3-dihydro-1,3,5-triazin-4-amine
CID 136981904
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
6-(4,4-Difluorocyclohexyl)-2-(4,4-difluorocyclohexyl)imino-6-[4-(difluoromethyl)-1,3-thiazol-2-yl]-1,3-dihydro-1,3,5-triazin-4-amine
CID 137141148
6-(4,4-Difluorocyclohexyl)-2-(4,4-difluorocyclohexyl)imino-6-[4-(1,1-difluoroethyl)-1,3-thiazol-2-yl]-1,3-dihydro-1,3,5-triazin-4-amine
CID 137151611
6-(4,4-Difluorocyclohexyl)-2-(4,4-difluorocyclohexyl)imino-6-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-1,3-dihydro-1,3,5-triazin-4-amine
CID 137151615
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
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
2-N,1-bis(3,3-difluorocyclobutyl)-6-[2-(trifluoromethyl)-1,3-thiazol-4-yl]-2H-1,3,5-triazine-2,4-diamine
CID 150590948
1-[(1-Ethylcyclobutyl)methyl]-2-methyl-3-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]guanidine;hydroiodide
CID 109469206
1-[(1-Ethylcyclobutyl)methyl]-2-methyl-3-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]guanidine
CID 109469207
1-Ethyl-3-[(1-ethylcyclobutyl)methyl]-2-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]guanidine;hydroiodide
CID 109470977

Frequently Asked Questions

What is the IUPAC name of 6-(3,3-difluorocyclobutyl)-2-(3,3-difluorocyclobutyl)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-difluorocyclobutyl)-2-(3,3-difluorocyclobutyl)imino-6-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-1,3-dihydro-1,3,5-triazin-4-amine (CID 137151608) is 6-(3,3-difluorocyclobutyl)-2-(3,3-difluorocyclobutyl)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-difluorocyclobutyl)-2-(3,3-difluorocyclobutyl)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-difluorocyclobutyl)-2-(3,3-difluorocyclobutyl)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)(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-(trifluoromethyl)-1,3-thiazol-2-yl]-1,3-dihydro-1,3,5-triazin-4-amine?
The InChIKey is ZMWZHRMOQBKMBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F7N6S/c16-12(17)1-6(2-12)14(9-25-8(5-29-9)15(20,21)22)27-10(23)26-11(28-14)24-7-3-13(18,19)4-7/h5-7H,1-4H2,(H4,23,24,26,27,28).
What are the key properties of 6-(3,3-difluorocyclobutyl)-2-(3,3-difluorocyclobutyl)imino-6-[4-(trifluoromethyl)-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-(trifluoromethyl)-1,3-thiazol-2-yl]-1,3-dihydro-1,3,5-triazin-4-amine has a molecular weight of 444.38 g/mol, XLogP of 3.02, 3 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-(trifluoromethyl)-1,3-thiazol-2-yl]-1,3-dihydro-1,3,5-triazin-4-amine is sourced from PubChem (CID 137151608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).