2-[4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]-1,4-thiazinane 1-oxide

C19H21F2N7O2S — CID 57494245

IUPAC2-[4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]-1,4-thiazinane 1-oxide
SMILESO=S1CCNCC1c1nc(N2CCOCC2)nc(-n2c(C(F)F)nc3ccccc32)n1
InChIInChI=1S/C19H21F2N7O2S/c20-15(21)17-23-12-3-1-2-4-13(12)28(17)19-25-16(14-11-22-5-10-31(14)29)24-18(26-19)27-6-8-30-9-7-27/h1-4,14-15,22H,5-11H2
InChIKeyIGMAPUMXWNJSSU-UHFFFAOYSA-N
MW449.49 g/mol
LogP1.38
Rot. Bonds4

About 2-[4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]-1,4-thiazinane 1-oxide

2-[4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]-1,4-thiazinane 1-oxide (PubChem CID 57494245) has the molecular formula C19H21F2N7O2S and a molecular weight of 449.49 g/mol. Its IUPAC name is 2-[4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]-1,4-thiazinane 1-oxide.

Molecular Properties

Compound Name2-[4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]-1,4-thiazinane 1-oxide
PubChem CID57494245
Molecular FormulaC19H21F2N7O2S
Molecular Weight449.49 g/mol
Exact Mass449.14
IUPAC Name2-[4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]-1,4-thiazinane 1-oxide
SMILESO=S1CCNCC1c1nc(N2CCOCC2)nc(-n2c(C(F)F)nc3ccccc32)n1
InChIInChI=1S/C19H21F2N7O2S/c20-15(21)17-23-12-3-1-2-4-13(12)28(17)19-25-16(14-11-22-5-10-31(14)29)24-18(26-19)27-6-8-30-9-7-27/h1-4,14-15,22H,5-11H2
InChIKeyIGMAPUMXWNJSSU-UHFFFAOYSA-N
XLogP1.38
TPSA98.06 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.49
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 2-[4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]-1,4-thiazinane 1-oxide 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

4-[4-chloro-6-[2-(difluoromethyl)benzimidazol-1-yl]-1,3,5-triazin-2-yl]morpholine
CID 22036872
1-[4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]piperidin-3-amine
CID 134147858
4-[4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]piperazine-1-sulfinic acid
CID 118638783
4-[4-[2-(difluoromethyl)benzimidazol-1-yl]-6-(4-ethylsulfonylpiperazin-1-yl)-1,3,5-triazin-2-yl]morpholine
CID 54577773
2-amino-1-[4-[4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]piperidin-1-yl]ethanone
CID 134138249
(2R,3S)-4-[4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]-2,3-dimethylmorpholine
CID 42613855
4-[4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]-N,N-dimethylpiperazine-1-carboxamide
CID 11955443
1-[4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]-N-[2-(trifluoromethyl)phenyl]piperidin-4-amine
CID 121354718
[4-[2-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-ylpyrimidin-4-yl]piperazin-1-yl]-morpholin-2-ylmethanone
CID 24849725
1-[4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-2-yl-1,3,5-triazin-2-yl]-N-(4-fluorophenyl)-N-[4-(trifluoromethyl)phenyl]piperidin-4-amine
CID 175070993
1-[4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-2-yl-1,3,5-triazin-2-yl]-N-[4-(trifluoromethyl)phenyl]piperidin-4-amine
CID 175347238
4-[6-[2-(difluoromethyl)benzimidazol-1-yl]-8,9-dihydro-7H-purin-2-yl]morpholine
CID 123877201

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]-1,4-thiazinane 1-oxide?
The IUPAC name of 2-[4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]-1,4-thiazinane 1-oxide (CID 57494245) is 2-[4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]-1,4-thiazinane 1-oxide.
What is the SMILES notation for 2-[4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]-1,4-thiazinane 1-oxide?
The canonical SMILES for 2-[4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]-1,4-thiazinane 1-oxide is O=S1CCNCC1c1nc(N2CCOCC2)nc(-n2c(C(F)F)nc3ccccc32)n1.
What is the InChIKey of 2-[4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]-1,4-thiazinane 1-oxide?
The InChIKey is IGMAPUMXWNJSSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F2N7O2S/c20-15(21)17-23-12-3-1-2-4-13(12)28(17)19-25-16(14-11-22-5-10-31(14)29)24-18(26-19)27-6-8-30-9-7-27/h1-4,14-15,22H,5-11H2.
What are the key properties of 2-[4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]-1,4-thiazinane 1-oxide?
2-[4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]-1,4-thiazinane 1-oxide has a molecular weight of 449.49 g/mol, XLogP of 1.38, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]-1,4-thiazinane 1-oxide is sourced from PubChem (CID 57494245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).