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

C17H10ClN3OS — CID 3489090

IUPAC2-amino-4-(2-chlorophenyl)-6-thiophen-2-yl-4H-pyran-3,5-dicarbonitrile
SMILESN#CC1=C(N)OC(c2cccs2)=C(C#N)C1c1ccccc1Cl
InChIInChI=1S/C17H10ClN3OS/c18-13-5-2-1-4-10(13)15-11(8-19)16(14-6-3-7-23-14)22-17(21)12(15)9-20/h1-7,15H,21H2
InChIKeyHMGADZFFSFELRQ-UHFFFAOYSA-N
MW339.81 g/mol
LogP4.14
Rot. Bonds2

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

2-amino-4-(2-chlorophenyl)-6-thiophen-2-yl-4H-pyran-3,5-dicarbonitrile (PubChem CID 3489090) has the molecular formula C17H10ClN3OS and a molecular weight of 339.81 g/mol. Its IUPAC name is 2-amino-4-(2-chlorophenyl)-6-thiophen-2-yl-4H-pyran-3,5-dicarbonitrile.

Molecular Properties

Compound Name2-amino-4-(2-chlorophenyl)-6-thiophen-2-yl-4H-pyran-3,5-dicarbonitrile
PubChem CID3489090
Molecular FormulaC17H10ClN3OS
Molecular Weight339.81 g/mol
Exact Mass339.02
IUPAC Name2-amino-4-(2-chlorophenyl)-6-thiophen-2-yl-4H-pyran-3,5-dicarbonitrile
SMILESN#CC1=C(N)OC(c2cccs2)=C(C#N)C1c1ccccc1Cl
InChIInChI=1S/C17H10ClN3OS/c18-13-5-2-1-4-10(13)15-11(8-19)16(14-6-3-7-23-14)22-17(21)12(15)9-20/h1-7,15H,21H2
InChIKeyHMGADZFFSFELRQ-UHFFFAOYSA-N
XLogP4.14
TPSA82.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.81
LogP ≤ 54.14
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-(2,4-dichlorophenyl)-6-thiophen-2-yl-4H-pyran-3,5-dicarbonitrile
CID 3734252
(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
(4S)-2-amino-4-(2-chlorophenyl)-5,10-dioxo-4H-benzo[g]chromene-3-carbonitrile
CID 28611974
(4R)-2,7-diamino-4-(2-chlorophenyl)-4H-chromene-3-carbonitrile
CID 749460
(4S)-2-amino-4-(2-chlorophenyl)-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile
CID 903650
2-amino-6-chloro-4-(2-chlorophenyl)-4H-benzo[h]chromene-3-carbonitrile
CID 155522378
6-amino-8-(2-chlorophenyl)-2,4-dioxo-1,8-dihydropyrano[3,2-d]pyrimidine-7-carbonitrile
CID 4542579
(4S)-6-amino-3-tert-butyl-4-(2-chlorophenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 701596
prop-2-ynyl 6-amino-4-(2-chlorophenyl)-5-cyano-2-methyl-4H-pyran-3-carboxylate
CID 166175181
(4R)-6-amino-4-(2-fluorophenyl)-3-thiophen-2-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 729269
(4R,8Z)-2-amino-4-(2-chlorophenyl)-8-[(2-chlorophenyl)methylidene]-4,5,6,7-tetrahydrochromene-3-carbonitrile
CID 1035795

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(2-chlorophenyl)-6-thiophen-2-yl-4H-pyran-3,5-dicarbonitrile?
The IUPAC name of 2-amino-4-(2-chlorophenyl)-6-thiophen-2-yl-4H-pyran-3,5-dicarbonitrile (CID 3489090) is 2-amino-4-(2-chlorophenyl)-6-thiophen-2-yl-4H-pyran-3,5-dicarbonitrile.
What is the SMILES notation for 2-amino-4-(2-chlorophenyl)-6-thiophen-2-yl-4H-pyran-3,5-dicarbonitrile?
The canonical SMILES for 2-amino-4-(2-chlorophenyl)-6-thiophen-2-yl-4H-pyran-3,5-dicarbonitrile is N#CC1=C(N)OC(c2cccs2)=C(C#N)C1c1ccccc1Cl.
What is the InChIKey of 2-amino-4-(2-chlorophenyl)-6-thiophen-2-yl-4H-pyran-3,5-dicarbonitrile?
The InChIKey is HMGADZFFSFELRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10ClN3OS/c18-13-5-2-1-4-10(13)15-11(8-19)16(14-6-3-7-23-14)22-17(21)12(15)9-20/h1-7,15H,21H2.
What are the key properties of 2-amino-4-(2-chlorophenyl)-6-thiophen-2-yl-4H-pyran-3,5-dicarbonitrile?
2-amino-4-(2-chlorophenyl)-6-thiophen-2-yl-4H-pyran-3,5-dicarbonitrile has a molecular weight of 339.81 g/mol, XLogP of 4.14, 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-chlorophenyl)-6-thiophen-2-yl-4H-pyran-3,5-dicarbonitrile is sourced from PubChem (CID 3489090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).