5-amino-7-phenyl-3,7-dihydro-2H-[1,3]thiazolo[3,2-a]pyridine-6,8-dicarbonitrile

C15H12N4S — CID 609128

IUPAC5-amino-7-phenyl-3,7-dihydro-2H-[1,3]thiazolo[3,2-a]pyridine-6,8-dicarbonitrile
SMILESN#CC1=C(N)N2CCSC2=C(C#N)C1c1ccccc1
InChIInChI=1S/C15H12N4S/c16-8-11-13(10-4-2-1-3-5-10)12(9-17)15-19(14(11)18)6-7-20-15/h1-5,13H,6-7,18H2
InChIKeyLFHZDSRCOUPBMO-UHFFFAOYSA-N
MW280.36 g/mol
LogP2.26
Rot. Bonds1

About 5-amino-7-phenyl-3,7-dihydro-2H-[1,3]thiazolo[3,2-a]pyridine-6,8-dicarbonitrile

5-amino-7-phenyl-3,7-dihydro-2H-[1,3]thiazolo[3,2-a]pyridine-6,8-dicarbonitrile (PubChem CID 609128) has the molecular formula C15H12N4S and a molecular weight of 280.36 g/mol. Its IUPAC name is 5-amino-7-phenyl-3,7-dihydro-2H-[1,3]thiazolo[3,2-a]pyridine-6,8-dicarbonitrile.

Molecular Properties

Compound Name5-amino-7-phenyl-3,7-dihydro-2H-[1,3]thiazolo[3,2-a]pyridine-6,8-dicarbonitrile
PubChem CID609128
Molecular FormulaC15H12N4S
Molecular Weight280.36 g/mol
Exact Mass280.08
IUPAC Name5-amino-7-phenyl-3,7-dihydro-2H-[1,3]thiazolo[3,2-a]pyridine-6,8-dicarbonitrile
SMILESN#CC1=C(N)N2CCSC2=C(C#N)C1c1ccccc1
InChIInChI=1S/C15H12N4S/c16-8-11-13(10-4-2-1-3-5-10)12(9-17)15-19(14(11)18)6-7-20-15/h1-5,13H,6-7,18H2
InChIKeyLFHZDSRCOUPBMO-UHFFFAOYSA-N
XLogP2.26
TPSA76.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.36
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(8R)-6-amino-8-phenyl-2,3,4,8-tetrahydropyrido[2,1-b][1,3]thiazine-7,9-dicarbonitrile
CID 7165236
5-amino-8-nitro-7-(4-nitrophenyl)-3,7-dihydro-2H-[1,3]thiazolo[3,2-a]pyridine-6-carbonitrile
CID 56851655
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
7-amino-10-nitro-9-phenyl-1,2,3,4,5,9-hexahydropyrido[1,2-a][1,3]diazepine-8-carbonitrile
CID 71733255
2,6-diamino-4-(4-phenylphenyl)-4H-thiopyran-3,5-dicarbonitrile
CID 689281
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
2-amino-4,5,6-triphenyl-4H-pyran-3-carbonitrile
CID 12957265

Frequently Asked Questions

What is the IUPAC name of 5-amino-7-phenyl-3,7-dihydro-2H-[1,3]thiazolo[3,2-a]pyridine-6,8-dicarbonitrile?
The IUPAC name of 5-amino-7-phenyl-3,7-dihydro-2H-[1,3]thiazolo[3,2-a]pyridine-6,8-dicarbonitrile (CID 609128) is 5-amino-7-phenyl-3,7-dihydro-2H-[1,3]thiazolo[3,2-a]pyridine-6,8-dicarbonitrile.
What is the SMILES notation for 5-amino-7-phenyl-3,7-dihydro-2H-[1,3]thiazolo[3,2-a]pyridine-6,8-dicarbonitrile?
The canonical SMILES for 5-amino-7-phenyl-3,7-dihydro-2H-[1,3]thiazolo[3,2-a]pyridine-6,8-dicarbonitrile is N#CC1=C(N)N2CCSC2=C(C#N)C1c1ccccc1.
What is the InChIKey of 5-amino-7-phenyl-3,7-dihydro-2H-[1,3]thiazolo[3,2-a]pyridine-6,8-dicarbonitrile?
The InChIKey is LFHZDSRCOUPBMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N4S/c16-8-11-13(10-4-2-1-3-5-10)12(9-17)15-19(14(11)18)6-7-20-15/h1-5,13H,6-7,18H2.
What are the key properties of 5-amino-7-phenyl-3,7-dihydro-2H-[1,3]thiazolo[3,2-a]pyridine-6,8-dicarbonitrile?
5-amino-7-phenyl-3,7-dihydro-2H-[1,3]thiazolo[3,2-a]pyridine-6,8-dicarbonitrile has a molecular weight of 280.36 g/mol, XLogP of 2.26, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-7-phenyl-3,7-dihydro-2H-[1,3]thiazolo[3,2-a]pyridine-6,8-dicarbonitrile is sourced from PubChem (CID 609128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).