(7R)-5-amino-2-(2-methylphenyl)-7-phenyl-7H-pyrano[2,3-d][1,3]thiazole-6-carbonitrile

C20H15N3OS — CID 132583085

IUPAC(7R)-5-amino-2-(2-methylphenyl)-7-phenyl-7H-pyrano[2,3-d][1,3]thiazole-6-carbonitrile
SMILESCc1ccccc1-c1nc2c(s1)[C@H](c1ccccc1)C(C#N)=C(N)O2
InChIInChI=1S/C20H15N3OS/c1-12-7-5-6-10-14(12)20-23-19-17(25-20)16(13-8-3-2-4-9-13)15(11-21)18(22)24-19/h2-10,16H,22H2,1H3/t16-/m1/s1
InChIKeyOLQYDWAMYPCEQH-MRXNPFEDSA-N
MW345.43 g/mol
LogP4.34
Rot. Bonds2

About (7R)-5-amino-2-(2-methylphenyl)-7-phenyl-7H-pyrano[2,3-d][1,3]thiazole-6-carbonitrile

(7R)-5-amino-2-(2-methylphenyl)-7-phenyl-7H-pyrano[2,3-d][1,3]thiazole-6-carbonitrile (PubChem CID 132583085) has the molecular formula C20H15N3OS and a molecular weight of 345.43 g/mol. Its IUPAC name is (7R)-5-amino-2-(2-methylphenyl)-7-phenyl-7H-pyrano[2,3-d][1,3]thiazole-6-carbonitrile.

Molecular Properties

Compound Name(7R)-5-amino-2-(2-methylphenyl)-7-phenyl-7H-pyrano[2,3-d][1,3]thiazole-6-carbonitrile
PubChem CID132583085
Molecular FormulaC20H15N3OS
Molecular Weight345.43 g/mol
Exact Mass345.09
IUPAC Name(7R)-5-amino-2-(2-methylphenyl)-7-phenyl-7H-pyrano[2,3-d][1,3]thiazole-6-carbonitrile
SMILESCc1ccccc1-c1nc2c(s1)[C@H](c1ccccc1)C(C#N)=C(N)O2
InChIInChI=1S/C20H15N3OS/c1-12-7-5-6-10-14(12)20-23-19-17(25-20)16(13-8-3-2-4-9-13)15(11-21)18(22)24-19/h2-10,16H,22H2,1H3/t16-/m1/s1
InChIKeyOLQYDWAMYPCEQH-MRXNPFEDSA-N
XLogP4.34
TPSA71.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.43
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(7R)-5-amino-2-(4-fluorophenyl)-7-phenyl-7H-pyrano[2,3-d][1,3]thiazole-6-carbonitrile
CID 132583077
(4S)-6-amino-3-methyl-4-phenyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 677573
2-amino-5-oxo-4-phenyl-4H-indeno[1,2-b]pyran-3-carbonitrile
CID 5062571
4-amino-11,13-dimethyl-6-pyridin-3-yl-3-oxa-8-thia-10-azatricyclo[7.4.0.02,7]trideca-1(9),2(7),4,10,12-pentaene-5-carbonitrile
CID 11838460
2-amino-4,5,6-triphenyl-4H-pyran-3-carbonitrile
CID 12957265
2-amino-6-[(2-methylphenyl)methyl]-5,5-dioxo-4-phenyl-4H-pyrano[3,2-c][2,1]benzothiazine-3-carbonitrile
CID 46276692
2-amino-6-ethyl-4-phenyl-4H-pyran-3,5-dicarbonitrile
CID 600102
2-amino-9-methyl-4-phenyl-4H-pyrano[3,2-h]quinoline-3-carbonitrile
CID 170836279
2-amino-6-methyl-4-phenyl-5-pyridin-4-yl-4H-pyran-3-carbonitrile
CID 15546482
(6R)-4-amino-6-(4-chlorophenyl)-11,13-dimethyl-3-oxa-8-thia-10-azatricyclo[7.4.0.02,7]trideca-1(9),2(7),4,10,12-pentaene-5-carbonitrile
CID 1002501
4-amino-6-(4-chlorophenyl)-11,13-dimethyl-3-oxa-8-thia-10-azatricyclo[7.4.0.02,7]trideca-1(9),2(7),4,10,12-pentaene-5-carbonitrile
CID 620671
(6R)-4-amino-6-(3-fluorophenyl)-11,13-dimethyl-3-oxa-8-thia-10-azatricyclo[7.4.0.02,7]trideca-1(9),2(7),4,10,12-pentaene-5-carbonitrile
CID 1003182

Frequently Asked Questions

What is the IUPAC name of (7R)-5-amino-2-(2-methylphenyl)-7-phenyl-7H-pyrano[2,3-d][1,3]thiazole-6-carbonitrile?
The IUPAC name of (7R)-5-amino-2-(2-methylphenyl)-7-phenyl-7H-pyrano[2,3-d][1,3]thiazole-6-carbonitrile (CID 132583085) is (7R)-5-amino-2-(2-methylphenyl)-7-phenyl-7H-pyrano[2,3-d][1,3]thiazole-6-carbonitrile.
What is the SMILES notation for (7R)-5-amino-2-(2-methylphenyl)-7-phenyl-7H-pyrano[2,3-d][1,3]thiazole-6-carbonitrile?
The canonical SMILES for (7R)-5-amino-2-(2-methylphenyl)-7-phenyl-7H-pyrano[2,3-d][1,3]thiazole-6-carbonitrile is Cc1ccccc1-c1nc2c(s1)[C@H](c1ccccc1)C(C#N)=C(N)O2.
What is the InChIKey of (7R)-5-amino-2-(2-methylphenyl)-7-phenyl-7H-pyrano[2,3-d][1,3]thiazole-6-carbonitrile?
The InChIKey is OLQYDWAMYPCEQH-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H15N3OS/c1-12-7-5-6-10-14(12)20-23-19-17(25-20)16(13-8-3-2-4-9-13)15(11-21)18(22)24-19/h2-10,16H,22H2,1H3/t16-/m1/s1.
What are the key properties of (7R)-5-amino-2-(2-methylphenyl)-7-phenyl-7H-pyrano[2,3-d][1,3]thiazole-6-carbonitrile?
(7R)-5-amino-2-(2-methylphenyl)-7-phenyl-7H-pyrano[2,3-d][1,3]thiazole-6-carbonitrile has a molecular weight of 345.43 g/mol, XLogP of 4.34, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (7R)-5-amino-2-(2-methylphenyl)-7-phenyl-7H-pyrano[2,3-d][1,3]thiazole-6-carbonitrile is sourced from PubChem (CID 132583085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).