(8R)-6-amino-8-phenyl-2,3,4,8-tetrahydropyrido[2,1-b][1,3]thiazine-7,9-dicarbonitrile

C16H14N4S — CID 7165236

IUPAC(8R)-6-amino-8-phenyl-2,3,4,8-tetrahydropyrido[2,1-b][1,3]thiazine-7,9-dicarbonitrile
SMILESN#CC1=C(N)N2CCCSC2=C(C#N)[C@@H]1c1ccccc1
InChIInChI=1S/C16H14N4S/c17-9-12-14(11-5-2-1-3-6-11)13(10-18)16-20(15(12)19)7-4-8-21-16/h1-3,5-6,14H,4,7-8,19H2/t14-/m1/s1
InChIKeyYJCHREYNFYDCRI-CQSZACIVSA-N
MW294.38 g/mol
LogP2.65
Rot. Bonds1

About (8R)-6-amino-8-phenyl-2,3,4,8-tetrahydropyrido[2,1-b][1,3]thiazine-7,9-dicarbonitrile

(8R)-6-amino-8-phenyl-2,3,4,8-tetrahydropyrido[2,1-b][1,3]thiazine-7,9-dicarbonitrile (PubChem CID 7165236) has the molecular formula C16H14N4S and a molecular weight of 294.38 g/mol. Its IUPAC name is (8R)-6-amino-8-phenyl-2,3,4,8-tetrahydropyrido[2,1-b][1,3]thiazine-7,9-dicarbonitrile.

Molecular Properties

Compound Name(8R)-6-amino-8-phenyl-2,3,4,8-tetrahydropyrido[2,1-b][1,3]thiazine-7,9-dicarbonitrile
PubChem CID7165236
Molecular FormulaC16H14N4S
Molecular Weight294.38 g/mol
Exact Mass294.09
IUPAC Name(8R)-6-amino-8-phenyl-2,3,4,8-tetrahydropyrido[2,1-b][1,3]thiazine-7,9-dicarbonitrile
SMILESN#CC1=C(N)N2CCCSC2=C(C#N)[C@@H]1c1ccccc1
InChIInChI=1S/C16H14N4S/c17-9-12-14(11-5-2-1-3-6-11)13(10-18)16-20(15(12)19)7-4-8-21-16/h1-3,5-6,14H,4,7-8,19H2/t14-/m1/s1
InChIKeyYJCHREYNFYDCRI-CQSZACIVSA-N
XLogP2.65
TPSA76.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.38
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-amino-7-phenyl-3,7-dihydro-2H-[1,3]thiazolo[3,2-a]pyridine-6,8-dicarbonitrile
CID 609128
5-amino-8-nitro-7-(4-nitrophenyl)-3,7-dihydro-2H-[1,3]thiazolo[3,2-a]pyridine-6-carbonitrile
CID 56851655
7-amino-10-nitro-9-phenyl-1,2,3,4,5,9-hexahydropyrido[1,2-a][1,3]diazepine-8-carbonitrile
CID 71733255
8-acetyl-5-amino-7-phenyl-3,7-dihydro-2H-[1,3]oxazolo[3,2-a]pyridine-6-carbonitrile
CID 10493075
4-amino-9,10-dimethoxy-2-phenyl-6,7-dihydro-2H-benzo[a]quinolizine-1,3-dicarbonitrile
CID 102032102
6-amino-8-(3-nitrophenyl)-4-oxo-3,8-dihydro-2H-pyrido[2,1-b][1,3]thiazine-7,9-dicarbonitrile
CID 17273401
2-amino-6-ethyl-4-phenyl-4H-pyran-3,5-dicarbonitrile
CID 600102
5-amino-6-cyano-N-methyl-3-oxo-7-phenyl-7H-[1,3]thiazolo[3,2-a]pyridine-8-carboxamide
CID 15828810
(3S)-1-amino-3-pyridin-4-yl-3H-pyrido[2,1-b][1,3]benzothiazole-2,4-dicarbonitrile
CID 867906
2,6-diamino-4-(4-phenylphenyl)-4H-thiopyran-3,5-dicarbonitrile
CID 689281
2-amino-1-morpholin-4-yl-5-oxo-4-phenyl-4,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 23804118
5-amino-3-(iodomethyl)-7-phenyl-2,3,4,7-tetrahydro-[1,3]thiazolo[3,2-a]pyridin-4-ium-6,8-dicarbonitrile;molecular iodine;iodide
CID 18529680

Frequently Asked Questions

What is the IUPAC name of (8R)-6-amino-8-phenyl-2,3,4,8-tetrahydropyrido[2,1-b][1,3]thiazine-7,9-dicarbonitrile?
The IUPAC name of (8R)-6-amino-8-phenyl-2,3,4,8-tetrahydropyrido[2,1-b][1,3]thiazine-7,9-dicarbonitrile (CID 7165236) is (8R)-6-amino-8-phenyl-2,3,4,8-tetrahydropyrido[2,1-b][1,3]thiazine-7,9-dicarbonitrile.
What is the SMILES notation for (8R)-6-amino-8-phenyl-2,3,4,8-tetrahydropyrido[2,1-b][1,3]thiazine-7,9-dicarbonitrile?
The canonical SMILES for (8R)-6-amino-8-phenyl-2,3,4,8-tetrahydropyrido[2,1-b][1,3]thiazine-7,9-dicarbonitrile is N#CC1=C(N)N2CCCSC2=C(C#N)[C@@H]1c1ccccc1.
What is the InChIKey of (8R)-6-amino-8-phenyl-2,3,4,8-tetrahydropyrido[2,1-b][1,3]thiazine-7,9-dicarbonitrile?
The InChIKey is YJCHREYNFYDCRI-CQSZACIVSA-N. The full InChI is InChI=1S/C16H14N4S/c17-9-12-14(11-5-2-1-3-6-11)13(10-18)16-20(15(12)19)7-4-8-21-16/h1-3,5-6,14H,4,7-8,19H2/t14-/m1/s1.
What are the key properties of (8R)-6-amino-8-phenyl-2,3,4,8-tetrahydropyrido[2,1-b][1,3]thiazine-7,9-dicarbonitrile?
(8R)-6-amino-8-phenyl-2,3,4,8-tetrahydropyrido[2,1-b][1,3]thiazine-7,9-dicarbonitrile has a molecular weight of 294.38 g/mol, XLogP of 2.65, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (8R)-6-amino-8-phenyl-2,3,4,8-tetrahydropyrido[2,1-b][1,3]thiazine-7,9-dicarbonitrile is sourced from PubChem (CID 7165236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).