2-amino-4-(2,4-dichlorophenyl)-6-thiophen-2-yl-4H-pyran-3,5-dicarbonitrile

C17H9Cl2N3OS — CID 3734252

IUPAC2-amino-4-(2,4-dichlorophenyl)-6-thiophen-2-yl-4H-pyran-3,5-dicarbonitrile
SMILESN#CC1=C(N)OC(c2cccs2)=C(C#N)C1c1ccc(Cl)cc1Cl
InChIInChI=1S/C17H9Cl2N3OS/c18-9-3-4-10(13(19)6-9)15-11(7-20)16(14-2-1-5-24-14)23-17(22)12(15)8-21/h1-6,15H,22H2
InChIKeyWJKDSPTXYMWHQB-UHFFFAOYSA-N
MW374.25 g/mol
LogP4.80
Rot. Bonds2

About 2-amino-4-(2,4-dichlorophenyl)-6-thiophen-2-yl-4H-pyran-3,5-dicarbonitrile

2-amino-4-(2,4-dichlorophenyl)-6-thiophen-2-yl-4H-pyran-3,5-dicarbonitrile (PubChem CID 3734252) has the molecular formula C17H9Cl2N3OS and a molecular weight of 374.25 g/mol. Its IUPAC name is 2-amino-4-(2,4-dichlorophenyl)-6-thiophen-2-yl-4H-pyran-3,5-dicarbonitrile.

Molecular Properties

Compound Name2-amino-4-(2,4-dichlorophenyl)-6-thiophen-2-yl-4H-pyran-3,5-dicarbonitrile
PubChem CID3734252
Molecular FormulaC17H9Cl2N3OS
Molecular Weight374.25 g/mol
Exact Mass372.98
IUPAC Name2-amino-4-(2,4-dichlorophenyl)-6-thiophen-2-yl-4H-pyran-3,5-dicarbonitrile
SMILESN#CC1=C(N)OC(c2cccs2)=C(C#N)C1c1ccc(Cl)cc1Cl
InChIInChI=1S/C17H9Cl2N3OS/c18-9-3-4-10(13(19)6-9)15-11(7-20)16(14-2-1-5-24-14)23-17(22)12(15)8-21/h1-6,15H,22H2
InChIKeyWJKDSPTXYMWHQB-UHFFFAOYSA-N
XLogP4.80
TPSA82.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.25
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'dhp_amino_CN_C(7)', 'substructure': 'N/A'}

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Related Compounds

2-amino-4-(2-chlorophenyl)-6-thiophen-2-yl-4H-pyran-3,5-dicarbonitrile
CID 3489090
(4S)-2-amino-4-(2,6-dichlorophenyl)-6-thiophen-2-yl-4H-pyran-3,5-dicarbonitrile
CID 1036480
(4R)-2-amino-4-(3,4-dichlorophenyl)-6-thiophen-2-yl-4H-pyran-3,5-dicarbonitrile
CID 1036478
[2-amino-3-cyano-4-(2,4-dichlorophenyl)-4H-chromen-7-yl] thiophene-2-carboxylate
CID 19122170
2-amino-4-(2,4-dichlorophenyl)-4H-pyran-3,5-dicarbonitrile
CID 135121463
(8S)-6-amino-8-(2,4-dichlorophenyl)-8H-[1,3]dioxolo[4,5-g]chromene-7-carbonitrile
CID 2194496
(4R)-2-amino-4-(2,4-dichlorophenyl)-7-(dimethylamino)-4H-chromene-3-carbonitrile
CID 7304497
(4S)-6-amino-3-tert-butyl-4-(2,4-dichlorophenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 1089874
7-amino-5-(2,4-dichlorophenyl)-2,4-dioxo-1,5-dihydropyrano[2,3-d]pyrimidine-6-carbonitrile
CID 3118435
2-amino-4-(2,4-dichlorophenyl)-7-methyl-5-oxo-4H-pyrano[3,2-c]pyran-3-carbonitrile
CID 608896
prop-2-enyl 6-amino-5-cyano-4-(2,4-dichlorophenyl)-2-methyl-4H-pyran-3-carboxylate
CID 3485504
methyl (4R)-6-amino-5-cyano-4-(2,4-dichlorophenyl)-2-ethyl-4H-pyran-3-carboxylate
CID 7123408

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(2,4-dichlorophenyl)-6-thiophen-2-yl-4H-pyran-3,5-dicarbonitrile?
The IUPAC name of 2-amino-4-(2,4-dichlorophenyl)-6-thiophen-2-yl-4H-pyran-3,5-dicarbonitrile (CID 3734252) is 2-amino-4-(2,4-dichlorophenyl)-6-thiophen-2-yl-4H-pyran-3,5-dicarbonitrile.
What is the SMILES notation for 2-amino-4-(2,4-dichlorophenyl)-6-thiophen-2-yl-4H-pyran-3,5-dicarbonitrile?
The canonical SMILES for 2-amino-4-(2,4-dichlorophenyl)-6-thiophen-2-yl-4H-pyran-3,5-dicarbonitrile is N#CC1=C(N)OC(c2cccs2)=C(C#N)C1c1ccc(Cl)cc1Cl.
What is the InChIKey of 2-amino-4-(2,4-dichlorophenyl)-6-thiophen-2-yl-4H-pyran-3,5-dicarbonitrile?
The InChIKey is WJKDSPTXYMWHQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H9Cl2N3OS/c18-9-3-4-10(13(19)6-9)15-11(7-20)16(14-2-1-5-24-14)23-17(22)12(15)8-21/h1-6,15H,22H2.
What are the key properties of 2-amino-4-(2,4-dichlorophenyl)-6-thiophen-2-yl-4H-pyran-3,5-dicarbonitrile?
2-amino-4-(2,4-dichlorophenyl)-6-thiophen-2-yl-4H-pyran-3,5-dicarbonitrile has a molecular weight of 374.25 g/mol, XLogP of 4.80, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(2,4-dichlorophenyl)-6-thiophen-2-yl-4H-pyran-3,5-dicarbonitrile is sourced from PubChem (CID 3734252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).