4-N-(2,2,2-trifluoroethyl)-6-[2-(trifluoromethyl)-1,3-thiazol-4-yl]-2-N-(1,1,1-trifluoropropan-2-yl)-1,3,5-triazine-2,4-diamine

C12H9F9N6S — CID 146258771

IUPAC4-N-(2,2,2-trifluoroethyl)-6-[2-(trifluoromethyl)-1,3-thiazol-4-yl]-2-N-(1,1,1-trifluoropropan-2-yl)-1,3,5-triazine-2,4-diamine
SMILESCC(Nc1nc(NCC(F)(F)F)nc(-c2csc(C(F)(F)F)n2)n1)C(F)(F)F
InChIInChI=1S/C12H9F9N6S/c1-4(11(16,17)18)23-9-26-6(5-2-28-7(24-5)12(19,20)21)25-8(27-9)22-3-10(13,14)15/h2,4H,3H2,1H3,(H2,22,23,25,26,27)
InChIKeyJEEVRAWCGIASRA-UHFFFAOYSA-N
MW440.30 g/mol
LogP4.35
Rot. Bonds5

About 4-N-(2,2,2-trifluoroethyl)-6-[2-(trifluoromethyl)-1,3-thiazol-4-yl]-2-N-(1,1,1-trifluoropropan-2-yl)-1,3,5-triazine-2,4-diamine

4-N-(2,2,2-trifluoroethyl)-6-[2-(trifluoromethyl)-1,3-thiazol-4-yl]-2-N-(1,1,1-trifluoropropan-2-yl)-1,3,5-triazine-2,4-diamine (PubChem CID 146258771) has the molecular formula C12H9F9N6S and a molecular weight of 440.30 g/mol. Its IUPAC name is 4-N-(2,2,2-trifluoroethyl)-6-[2-(trifluoromethyl)-1,3-thiazol-4-yl]-2-N-(1,1,1-trifluoropropan-2-yl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name4-N-(2,2,2-trifluoroethyl)-6-[2-(trifluoromethyl)-1,3-thiazol-4-yl]-2-N-(1,1,1-trifluoropropan-2-yl)-1,3,5-triazine-2,4-diamine
PubChem CID146258771
Molecular FormulaC12H9F9N6S
Molecular Weight440.30 g/mol
Exact Mass440.05
IUPAC Name4-N-(2,2,2-trifluoroethyl)-6-[2-(trifluoromethyl)-1,3-thiazol-4-yl]-2-N-(1,1,1-trifluoropropan-2-yl)-1,3,5-triazine-2,4-diamine
SMILESCC(Nc1nc(NCC(F)(F)F)nc(-c2csc(C(F)(F)F)n2)n1)C(F)(F)F
InChIInChI=1S/C12H9F9N6S/c1-4(11(16,17)18)23-9-26-6(5-2-28-7(24-5)12(19,20)21)25-8(27-9)22-3-10(13,14)15/h2,4H,3H2,1H3,(H2,22,23,25,26,27)
InChIKeyJEEVRAWCGIASRA-UHFFFAOYSA-N
XLogP4.35
TPSA75.62 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.30
LogP ≤ 54.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 4-N-(2,2,2-trifluoroethyl)-6-[2-(trifluoromethyl)-1,3-thiazol-4-yl]-2-N-(1,1,1-trifluoropropan-2-yl)-1,3,5-triazine-2,4-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-(3,3-dimethylbut-1-ynyl)-2-N,4-N-bis[(2R)-1,1,1-trifluoropropan-2-yl]-1,3,5-triazine-2,4-diamine
CID 167061122
6-chloro-4-N-ethyl-2-N-(1,1,1-trifluoropropan-2-yl)-1,3,5-triazine-2,4-diamine
CID 14822093
6-(6-chloro-2-pyridinyl)-2-N,4-N-bis(1,1,1-trifluorobutan-2-yl)-1,3,5-triazine-2,4-diamine;6-(6-chloro-2-pyridinyl)-2-N,4-N-bis[(2R)-1,1,1-trifluorobutan-2-yl]-1,3,5-triazine-2,4-diamine;6-(6-chloro-2-pyridinyl)-2-N,4-N-bis(1,1,1-trifluoropropan-2-yl)-1,3,5-triazine-2,4-diamine;6-(6-chloro-2-pyridinyl)-4-N-[(2S)-1,1,1-trifluoropropan-2-yl]-2-N-[(2R)-1,1,1-trifluoropropan-2-yl]-1,3,5-triazine-2,4-diamine;6-(2-methyl-1,3-thiazol-4-yl)-2-N,4-N-bis[(2R)-1,1,1-trifluoropropan-2-yl]-1,3,5-triazine-2,4-diamine;6-[3-(trifluoromethyl)pyrazol-1-yl]-2-N,4-N-bis(1,1,1-trifluoropropan-2-yl)-1,3,5-triazine-2,4-diamine
CID 159325353
3-[4-(propan-2-ylamino)-6-(2,2,2-trifluoroethylamino)-1,3,5-triazin-2-yl]cyclohex-2-en-1-ol
CID 166860072
[6-[4,6-bis[[(2R)-1,1,1-trifluoropropan-2-yl]amino]-1,3,5-triazin-2-yl]-2-pyridinyl]methyl-oxosulfanium
CID 174160274
6-(6-chloro-3,4,5-trideuterio-2-pyridinyl)-2-N-(2-deuterio-1,1,1-trifluoropropan-2-yl)-4-N-(1,1,1-trifluoropropan-2-yl)-1,3,5-triazine-2,4-diamine
CID 146458396
6-(6-chloro-2-pyridinyl)-2-N-(1,1,1,3,3,3-hexafluoropropan-2-yl)-4-N-(1,1,1-trifluoropropan-2-yl)-1,3,5-triazine-2,4-diamine
CID 123884185
6-(6-chloro-5-deuterio-2-pyridinyl)-4-N-[(2R)-2-deuterio-1,1,1-trifluoropropan-2-yl]-2-N-[(2R)-1,1,1-trifluoropropan-2-yl]-1,3,5-triazine-2,4-diamine
CID 151563644
6-(6-chloro-4-deuterio-2-pyridinyl)-2-N-(1,1,1-trideuterio-3,3,3-trifluoropropan-2-yl)-4-N-(1,1,1-trifluoropropan-2-yl)-1,3,5-triazine-2,4-diamine
CID 146458438
6-chloro-4-N-(3-methoxypropyl)-2-N-(1,1,1-trifluoropropan-2-yl)-1,3,5-triazine-2,4-diamine
CID 14822079
6-(6-chloro-5-deuterio-2-pyridinyl)-2-N-(1,1,1-trideuterio-3,3,3-trifluoropropan-2-yl)-4-N-(1,1,1-trifluoropropan-2-yl)-1,3,5-triazine-2,4-diamine
CID 146458412
6-(6-chloro-3-deuterio-2-pyridinyl)-4-N-[(2R)-1,1,1-trideuterio-3,3,3-trifluoropropan-2-yl]-2-N-[(2R)-1,1,1-trifluoropropan-2-yl]-1,3,5-triazine-2,4-diamine
CID 151563612

Frequently Asked Questions

What is the IUPAC name of 4-N-(2,2,2-trifluoroethyl)-6-[2-(trifluoromethyl)-1,3-thiazol-4-yl]-2-N-(1,1,1-trifluoropropan-2-yl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 4-N-(2,2,2-trifluoroethyl)-6-[2-(trifluoromethyl)-1,3-thiazol-4-yl]-2-N-(1,1,1-trifluoropropan-2-yl)-1,3,5-triazine-2,4-diamine (CID 146258771) is 4-N-(2,2,2-trifluoroethyl)-6-[2-(trifluoromethyl)-1,3-thiazol-4-yl]-2-N-(1,1,1-trifluoropropan-2-yl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 4-N-(2,2,2-trifluoroethyl)-6-[2-(trifluoromethyl)-1,3-thiazol-4-yl]-2-N-(1,1,1-trifluoropropan-2-yl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 4-N-(2,2,2-trifluoroethyl)-6-[2-(trifluoromethyl)-1,3-thiazol-4-yl]-2-N-(1,1,1-trifluoropropan-2-yl)-1,3,5-triazine-2,4-diamine is CC(Nc1nc(NCC(F)(F)F)nc(-c2csc(C(F)(F)F)n2)n1)C(F)(F)F.
What is the InChIKey of 4-N-(2,2,2-trifluoroethyl)-6-[2-(trifluoromethyl)-1,3-thiazol-4-yl]-2-N-(1,1,1-trifluoropropan-2-yl)-1,3,5-triazine-2,4-diamine?
The InChIKey is JEEVRAWCGIASRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9F9N6S/c1-4(11(16,17)18)23-9-26-6(5-2-28-7(24-5)12(19,20)21)25-8(27-9)22-3-10(13,14)15/h2,4H,3H2,1H3,(H2,22,23,25,26,27).
What are the key properties of 4-N-(2,2,2-trifluoroethyl)-6-[2-(trifluoromethyl)-1,3-thiazol-4-yl]-2-N-(1,1,1-trifluoropropan-2-yl)-1,3,5-triazine-2,4-diamine?
4-N-(2,2,2-trifluoroethyl)-6-[2-(trifluoromethyl)-1,3-thiazol-4-yl]-2-N-(1,1,1-trifluoropropan-2-yl)-1,3,5-triazine-2,4-diamine has a molecular weight of 440.30 g/mol, XLogP of 4.35, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2,2,2-trifluoroethyl)-6-[2-(trifluoromethyl)-1,3-thiazol-4-yl]-2-N-(1,1,1-trifluoropropan-2-yl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 146258771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).