2-amino-7-(dimethylamino)-4-[3-(trifluoromethyl)thiophen-2-yl]-4H-chromene-3-carbonitrile

C17H14F3N3OS — CID 22395320

IUPAC2-amino-7-(dimethylamino)-4-[3-(trifluoromethyl)thiophen-2-yl]-4H-chromene-3-carbonitrile
SMILESCN(C)c1ccc2c(c1)OC(N)=C(C#N)C2c1sccc1C(F)(F)F
InChIInChI=1S/C17H14F3N3OS/c1-23(2)9-3-4-10-13(7-9)24-16(22)11(8-21)14(10)15-12(5-6-25-15)17(18,19)20/h3-7,14H,22H2,1-2H3
InChIKeyRARASFGKTUULMM-UHFFFAOYSA-N
MW365.38 g/mol
LogP4.05
Rot. Bonds2

About 2-amino-7-(dimethylamino)-4-[3-(trifluoromethyl)thiophen-2-yl]-4H-chromene-3-carbonitrile

2-amino-7-(dimethylamino)-4-[3-(trifluoromethyl)thiophen-2-yl]-4H-chromene-3-carbonitrile (PubChem CID 22395320) has the molecular formula C17H14F3N3OS and a molecular weight of 365.38 g/mol. Its IUPAC name is 2-amino-7-(dimethylamino)-4-[3-(trifluoromethyl)thiophen-2-yl]-4H-chromene-3-carbonitrile.

Molecular Properties

Compound Name2-amino-7-(dimethylamino)-4-[3-(trifluoromethyl)thiophen-2-yl]-4H-chromene-3-carbonitrile
PubChem CID22395320
Molecular FormulaC17H14F3N3OS
Molecular Weight365.38 g/mol
Exact Mass365.08
IUPAC Name2-amino-7-(dimethylamino)-4-[3-(trifluoromethyl)thiophen-2-yl]-4H-chromene-3-carbonitrile
SMILESCN(C)c1ccc2c(c1)OC(N)=C(C#N)C2c1sccc1C(F)(F)F
InChIInChI=1S/C17H14F3N3OS/c1-23(2)9-3-4-10-13(7-9)24-16(22)11(8-21)14(10)15-12(5-6-25-15)17(18,19)20/h3-7,14H,22H2,1-2H3
InChIKeyRARASFGKTUULMM-UHFFFAOYSA-N
XLogP4.05
TPSA62.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.38
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-7-(dimethylamino)-4-[3-(trifluoromethyl)thiophen-2-yl]-4H-chromene-3-carbonitrile?
The IUPAC name of 2-amino-7-(dimethylamino)-4-[3-(trifluoromethyl)thiophen-2-yl]-4H-chromene-3-carbonitrile (CID 22395320) is 2-amino-7-(dimethylamino)-4-[3-(trifluoromethyl)thiophen-2-yl]-4H-chromene-3-carbonitrile.
What is the SMILES notation for 2-amino-7-(dimethylamino)-4-[3-(trifluoromethyl)thiophen-2-yl]-4H-chromene-3-carbonitrile?
The canonical SMILES for 2-amino-7-(dimethylamino)-4-[3-(trifluoromethyl)thiophen-2-yl]-4H-chromene-3-carbonitrile is CN(C)c1ccc2c(c1)OC(N)=C(C#N)C2c1sccc1C(F)(F)F.
What is the InChIKey of 2-amino-7-(dimethylamino)-4-[3-(trifluoromethyl)thiophen-2-yl]-4H-chromene-3-carbonitrile?
The InChIKey is RARASFGKTUULMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F3N3OS/c1-23(2)9-3-4-10-13(7-9)24-16(22)11(8-21)14(10)15-12(5-6-25-15)17(18,19)20/h3-7,14H,22H2,1-2H3.
What are the key properties of 2-amino-7-(dimethylamino)-4-[3-(trifluoromethyl)thiophen-2-yl]-4H-chromene-3-carbonitrile?
2-amino-7-(dimethylamino)-4-[3-(trifluoromethyl)thiophen-2-yl]-4H-chromene-3-carbonitrile has a molecular weight of 365.38 g/mol, XLogP of 4.05, 2 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-(trifluoromethyl)thiophen-2-yl]-4H-chromene-3-carbonitrile is sourced from PubChem (CID 22395320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).