2-amino-7-(diethylamino)-4-thiophen-3-yl-4H-chromene-3-carbonitrile

C18H19N3OS — CID 3154940

IUPAC2-amino-7-(diethylamino)-4-thiophen-3-yl-4H-chromene-3-carbonitrile
SMILESCCN(CC)c1ccc2c(c1)OC(N)=C(C#N)C2c1ccsc1
InChIInChI=1S/C18H19N3OS/c1-3-21(4-2)13-5-6-14-16(9-13)22-18(20)15(10-19)17(14)12-7-8-23-11-12/h5-9,11,17H,3-4,20H2,1-2H3
InChIKeyMVHCWIZQTNTNAJ-UHFFFAOYSA-N
MW325.44 g/mol
LogP3.81
Rot. Bonds4

About 2-amino-7-(diethylamino)-4-thiophen-3-yl-4H-chromene-3-carbonitrile

2-amino-7-(diethylamino)-4-thiophen-3-yl-4H-chromene-3-carbonitrile (PubChem CID 3154940) has the molecular formula C18H19N3OS and a molecular weight of 325.44 g/mol. Its IUPAC name is 2-amino-7-(diethylamino)-4-thiophen-3-yl-4H-chromene-3-carbonitrile.

Molecular Properties

Compound Name2-amino-7-(diethylamino)-4-thiophen-3-yl-4H-chromene-3-carbonitrile
PubChem CID3154940
Molecular FormulaC18H19N3OS
Molecular Weight325.44 g/mol
Exact Mass325.12
IUPAC Name2-amino-7-(diethylamino)-4-thiophen-3-yl-4H-chromene-3-carbonitrile
SMILESCCN(CC)c1ccc2c(c1)OC(N)=C(C#N)C2c1ccsc1
InChIInChI=1S/C18H19N3OS/c1-3-21(4-2)13-5-6-14-16(9-13)22-18(20)15(10-19)17(14)12-7-8-23-11-12/h5-9,11,17H,3-4,20H2,1-2H3
InChIKeyMVHCWIZQTNTNAJ-UHFFFAOYSA-N
XLogP3.81
TPSA62.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.44
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-7-(diethylamino)-4-thiophen-3-yl-4H-chromene-3-carbonitrile?
The IUPAC name of 2-amino-7-(diethylamino)-4-thiophen-3-yl-4H-chromene-3-carbonitrile (CID 3154940) is 2-amino-7-(diethylamino)-4-thiophen-3-yl-4H-chromene-3-carbonitrile.
What is the SMILES notation for 2-amino-7-(diethylamino)-4-thiophen-3-yl-4H-chromene-3-carbonitrile?
The canonical SMILES for 2-amino-7-(diethylamino)-4-thiophen-3-yl-4H-chromene-3-carbonitrile is CCN(CC)c1ccc2c(c1)OC(N)=C(C#N)C2c1ccsc1.
What is the InChIKey of 2-amino-7-(diethylamino)-4-thiophen-3-yl-4H-chromene-3-carbonitrile?
The InChIKey is MVHCWIZQTNTNAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3OS/c1-3-21(4-2)13-5-6-14-16(9-13)22-18(20)15(10-19)17(14)12-7-8-23-11-12/h5-9,11,17H,3-4,20H2,1-2H3.
What are the key properties of 2-amino-7-(diethylamino)-4-thiophen-3-yl-4H-chromene-3-carbonitrile?
2-amino-7-(diethylamino)-4-thiophen-3-yl-4H-chromene-3-carbonitrile has a molecular weight of 325.44 g/mol, XLogP of 3.81, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-7-(diethylamino)-4-thiophen-3-yl-4H-chromene-3-carbonitrile is sourced from PubChem (CID 3154940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).