2-amino-7-(dimethylamino)-4-[3-(trifluoromethylsulfanyl)phenyl]-4H-chromene-3-carbonitrile

C19H16F3N3OS — CID 69005973

IUPAC2-amino-7-(dimethylamino)-4-[3-(trifluoromethylsulfanyl)phenyl]-4H-chromene-3-carbonitrile
SMILESCN(C)c1ccc2c(c1)OC(N)=C(C#N)C2c1cccc(SC(F)(F)F)c1
InChIInChI=1S/C19H16F3N3OS/c1-25(2)12-6-7-14-16(9-12)26-18(24)15(10-23)17(14)11-4-3-5-13(8-11)27-19(20,21)22/h3-9,17H,24H2,1-2H3
InChIKeyLUYDHNRIKMHYPJ-UHFFFAOYSA-N
MW391.42 g/mol
LogP4.58
Rot. Bonds3

About 2-amino-7-(dimethylamino)-4-[3-(trifluoromethylsulfanyl)phenyl]-4H-chromene-3-carbonitrile

2-amino-7-(dimethylamino)-4-[3-(trifluoromethylsulfanyl)phenyl]-4H-chromene-3-carbonitrile (PubChem CID 69005973) has the molecular formula C19H16F3N3OS and a molecular weight of 391.42 g/mol. Its IUPAC name is 2-amino-7-(dimethylamino)-4-[3-(trifluoromethylsulfanyl)phenyl]-4H-chromene-3-carbonitrile.

Molecular Properties

Compound Name2-amino-7-(dimethylamino)-4-[3-(trifluoromethylsulfanyl)phenyl]-4H-chromene-3-carbonitrile
PubChem CID69005973
Molecular FormulaC19H16F3N3OS
Molecular Weight391.42 g/mol
Exact Mass391.10
IUPAC Name2-amino-7-(dimethylamino)-4-[3-(trifluoromethylsulfanyl)phenyl]-4H-chromene-3-carbonitrile
SMILESCN(C)c1ccc2c(c1)OC(N)=C(C#N)C2c1cccc(SC(F)(F)F)c1
InChIInChI=1S/C19H16F3N3OS/c1-25(2)12-6-7-14-16(9-12)26-18(24)15(10-23)17(14)11-4-3-5-13(8-11)27-19(20,21)22/h3-9,17H,24H2,1-2H3
InChIKeyLUYDHNRIKMHYPJ-UHFFFAOYSA-N
XLogP4.58
TPSA62.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.42
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-amino-7-(dimethylamino)-4-[3-(trifluoromethylsulfanyl)phenyl]-4H-chromene-3-carbonitrile with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-amino-7-(dimethylamino)-4-[3-(trifluoromethylsulfanyl)phenyl]-4H-chromene-3-carbonitrile?
The IUPAC name of 2-amino-7-(dimethylamino)-4-[3-(trifluoromethylsulfanyl)phenyl]-4H-chromene-3-carbonitrile (CID 69005973) is 2-amino-7-(dimethylamino)-4-[3-(trifluoromethylsulfanyl)phenyl]-4H-chromene-3-carbonitrile.
What is the SMILES notation for 2-amino-7-(dimethylamino)-4-[3-(trifluoromethylsulfanyl)phenyl]-4H-chromene-3-carbonitrile?
The canonical SMILES for 2-amino-7-(dimethylamino)-4-[3-(trifluoromethylsulfanyl)phenyl]-4H-chromene-3-carbonitrile is CN(C)c1ccc2c(c1)OC(N)=C(C#N)C2c1cccc(SC(F)(F)F)c1.
What is the InChIKey of 2-amino-7-(dimethylamino)-4-[3-(trifluoromethylsulfanyl)phenyl]-4H-chromene-3-carbonitrile?
The InChIKey is LUYDHNRIKMHYPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F3N3OS/c1-25(2)12-6-7-14-16(9-12)26-18(24)15(10-23)17(14)11-4-3-5-13(8-11)27-19(20,21)22/h3-9,17H,24H2,1-2H3.
What are the key properties of 2-amino-7-(dimethylamino)-4-[3-(trifluoromethylsulfanyl)phenyl]-4H-chromene-3-carbonitrile?
2-amino-7-(dimethylamino)-4-[3-(trifluoromethylsulfanyl)phenyl]-4H-chromene-3-carbonitrile has a molecular weight of 391.42 g/mol, XLogP of 4.58, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-7-(dimethylamino)-4-[3-(trifluoromethylsulfanyl)phenyl]-4H-chromene-3-carbonitrile is sourced from PubChem (CID 69005973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).