6-amino-8-(2,4-dichlorophenyl)-4-oxo-3,8-dihydro-2H-pyrido[2,1-b][1,3]thiazine-7,9-dicarbonitrile

C16H10Cl2N4OS — CID 17273393

IUPAC6-amino-8-(2,4-dichlorophenyl)-4-oxo-3,8-dihydro-2H-pyrido[2,1-b][1,3]thiazine-7,9-dicarbonitrile
SMILESN#CC1=C(N)N2C(=O)CCSC2=C(C#N)C1c1ccc(Cl)cc1Cl
InChIInChI=1S/C16H10Cl2N4OS/c17-8-1-2-9(12(18)5-8)14-10(6-19)15(21)22-13(23)3-4-24-16(22)11(14)7-20/h1-2,5,14H,3-4,21H2
InChIKeyIURRYLSPJDGQJY-UHFFFAOYSA-N
MW377.26 g/mol
LogP3.49
Rot. Bonds1

About 6-amino-8-(2,4-dichlorophenyl)-4-oxo-3,8-dihydro-2H-pyrido[2,1-b][1,3]thiazine-7,9-dicarbonitrile

6-amino-8-(2,4-dichlorophenyl)-4-oxo-3,8-dihydro-2H-pyrido[2,1-b][1,3]thiazine-7,9-dicarbonitrile (PubChem CID 17273393) has the molecular formula C16H10Cl2N4OS and a molecular weight of 377.26 g/mol. Its IUPAC name is 6-amino-8-(2,4-dichlorophenyl)-4-oxo-3,8-dihydro-2H-pyrido[2,1-b][1,3]thiazine-7,9-dicarbonitrile.

Molecular Properties

Compound Name6-amino-8-(2,4-dichlorophenyl)-4-oxo-3,8-dihydro-2H-pyrido[2,1-b][1,3]thiazine-7,9-dicarbonitrile
PubChem CID17273393
Molecular FormulaC16H10Cl2N4OS
Molecular Weight377.26 g/mol
Exact Mass376.00
IUPAC Name6-amino-8-(2,4-dichlorophenyl)-4-oxo-3,8-dihydro-2H-pyrido[2,1-b][1,3]thiazine-7,9-dicarbonitrile
SMILESN#CC1=C(N)N2C(=O)CCSC2=C(C#N)C1c1ccc(Cl)cc1Cl
InChIInChI=1S/C16H10Cl2N4OS/c17-8-1-2-9(12(18)5-8)14-10(6-19)15(21)22-13(23)3-4-24-16(22)11(14)7-20/h1-2,5,14H,3-4,21H2
InChIKeyIURRYLSPJDGQJY-UHFFFAOYSA-N
XLogP3.49
TPSA93.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.26
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-amino-8-(3-nitrophenyl)-4-oxo-3,8-dihydro-2H-pyrido[2,1-b][1,3]thiazine-7,9-dicarbonitrile
CID 17273401
(4S)-2-amino-4-(2,4-dichlorophenyl)-1-(dimethylamino)-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 1267131
methyl 6-amino-9-cyano-8-(3-methoxyphenyl)-4-oxo-3,8-dihydro-2H-pyrido[2,1-b][1,3]thiazine-7-carboxylate
CID 17273411
(4R)-2-amino-4-(2,4-dichlorophenyl)-5-oxo-4,6,7,8-tetrahydrochromene-3-carbonitrile
CID 679269
(4R)-2-amino-4-(2,4-dichlorophenyl)-1-(dimethylamino)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-quinoline-3-carbonitrile
CID 1267368
2-amino-4-(2,4-dichlorophenyl)-6-thiophen-2-yl-4H-pyran-3,5-dicarbonitrile
CID 3734252
(4S,7S)-2-amino-4-(2,4-dichlorophenyl)-5-oxo-7-phenyl-1-(1H-1,2,4-triazol-5-yl)-4,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 92849077
5-amino-6-cyano-7-(2,4-dichlorophenyl)-2-[(2,4-dichlorophenyl)methylidene]-3-oxo-7H-[1,3]thiazolo[3,2-a]pyridine-8-carboxamide
CID 4268438
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)-4H-pyran-3,5-dicarbonitrile
CID 135121463
3-(3-chlorophenyl)-8-(2-fluorophenyl)-6-oxo-2,4,7,8-tetrahydropyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile
CID 4889937
ethyl (4R)-1-(4-acetamido-1,2,5-oxadiazol-3-yl)-6-amino-5-cyano-4-(2,4-dichlorophenyl)-2-methyl-4H-pyridine-3-carboxylate
CID 1270063

Frequently Asked Questions

What is the IUPAC name of 6-amino-8-(2,4-dichlorophenyl)-4-oxo-3,8-dihydro-2H-pyrido[2,1-b][1,3]thiazine-7,9-dicarbonitrile?
The IUPAC name of 6-amino-8-(2,4-dichlorophenyl)-4-oxo-3,8-dihydro-2H-pyrido[2,1-b][1,3]thiazine-7,9-dicarbonitrile (CID 17273393) is 6-amino-8-(2,4-dichlorophenyl)-4-oxo-3,8-dihydro-2H-pyrido[2,1-b][1,3]thiazine-7,9-dicarbonitrile.
What is the SMILES notation for 6-amino-8-(2,4-dichlorophenyl)-4-oxo-3,8-dihydro-2H-pyrido[2,1-b][1,3]thiazine-7,9-dicarbonitrile?
The canonical SMILES for 6-amino-8-(2,4-dichlorophenyl)-4-oxo-3,8-dihydro-2H-pyrido[2,1-b][1,3]thiazine-7,9-dicarbonitrile is N#CC1=C(N)N2C(=O)CCSC2=C(C#N)C1c1ccc(Cl)cc1Cl.
What is the InChIKey of 6-amino-8-(2,4-dichlorophenyl)-4-oxo-3,8-dihydro-2H-pyrido[2,1-b][1,3]thiazine-7,9-dicarbonitrile?
The InChIKey is IURRYLSPJDGQJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10Cl2N4OS/c17-8-1-2-9(12(18)5-8)14-10(6-19)15(21)22-13(23)3-4-24-16(22)11(14)7-20/h1-2,5,14H,3-4,21H2.
What are the key properties of 6-amino-8-(2,4-dichlorophenyl)-4-oxo-3,8-dihydro-2H-pyrido[2,1-b][1,3]thiazine-7,9-dicarbonitrile?
6-amino-8-(2,4-dichlorophenyl)-4-oxo-3,8-dihydro-2H-pyrido[2,1-b][1,3]thiazine-7,9-dicarbonitrile has a molecular weight of 377.26 g/mol, XLogP of 3.49, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-8-(2,4-dichlorophenyl)-4-oxo-3,8-dihydro-2H-pyrido[2,1-b][1,3]thiazine-7,9-dicarbonitrile is sourced from PubChem (CID 17273393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).