(7R)-5-amino-2-(4-fluorophenyl)-7-phenyl-7H-pyrano[2,3-d][1,3]thiazole-6-carbonitrile

C19H12FN3OS — CID 132583077

IUPAC(7R)-5-amino-2-(4-fluorophenyl)-7-phenyl-7H-pyrano[2,3-d][1,3]thiazole-6-carbonitrile
SMILESN#CC1=C(N)Oc2nc(-c3ccc(F)cc3)sc2[C@@H]1c1ccccc1
InChIInChI=1S/C19H12FN3OS/c20-13-8-6-12(7-9-13)19-23-18-16(25-19)15(11-4-2-1-3-5-11)14(10-21)17(22)24-18/h1-9,15H,22H2/t15-/m1/s1
InChIKeyJBEFASPLOIHRRC-OAHLLOKOSA-N
MW349.39 g/mol
LogP4.17
Rot. Bonds2

About (7R)-5-amino-2-(4-fluorophenyl)-7-phenyl-7H-pyrano[2,3-d][1,3]thiazole-6-carbonitrile

(7R)-5-amino-2-(4-fluorophenyl)-7-phenyl-7H-pyrano[2,3-d][1,3]thiazole-6-carbonitrile (PubChem CID 132583077) has the molecular formula C19H12FN3OS and a molecular weight of 349.39 g/mol. Its IUPAC name is (7R)-5-amino-2-(4-fluorophenyl)-7-phenyl-7H-pyrano[2,3-d][1,3]thiazole-6-carbonitrile.

Molecular Properties

Compound Name(7R)-5-amino-2-(4-fluorophenyl)-7-phenyl-7H-pyrano[2,3-d][1,3]thiazole-6-carbonitrile
PubChem CID132583077
Molecular FormulaC19H12FN3OS
Molecular Weight349.39 g/mol
Exact Mass349.07
IUPAC Name(7R)-5-amino-2-(4-fluorophenyl)-7-phenyl-7H-pyrano[2,3-d][1,3]thiazole-6-carbonitrile
SMILESN#CC1=C(N)Oc2nc(-c3ccc(F)cc3)sc2[C@@H]1c1ccccc1
InChIInChI=1S/C19H12FN3OS/c20-13-8-6-12(7-9-13)19-23-18-16(25-19)15(11-4-2-1-3-5-11)14(10-21)17(22)24-18/h1-9,15H,22H2/t15-/m1/s1
InChIKeyJBEFASPLOIHRRC-OAHLLOKOSA-N
XLogP4.17
TPSA71.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(7R)-5-amino-2-(2-methylphenyl)-7-phenyl-7H-pyrano[2,3-d][1,3]thiazole-6-carbonitrile
CID 132583085
6-amino-4-(4-fluorophenyl)-3-(4-phenylmethoxyphenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 3814864
(6R)-4-amino-6-(4-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 1003178
(4R)-6-amino-4-(4-tert-butylphenyl)-3-(4-fluorophenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 1006103
(4S)-6-amino-3-methyl-4-phenyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 677573
(4S)-6-amino-4-(4-fluorophenyl)-3-pyridin-4-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 704764
2-amino-4,5,6-triphenyl-4H-pyran-3-carbonitrile
CID 12957265
(5S)-7-amino-4-oxo-5-(4-phenylphenyl)-3,5-dihydropyrano[2,3-d]pyrimidine-6-carbonitrile
CID 1203559
6-amino-3-(4-ethoxyphenyl)-4-phenyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 2945797
6-amino-4-(4-methoxyphenyl)-3-phenyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 3125753
6-amino-3-(4-fluorophenyl)-4-(4-methoxynaphthalen-1-yl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 11838678
6-amino-3-(3,4-dimethylphenyl)-4-(3-fluorophenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 2961969

Frequently Asked Questions

What is the IUPAC name of (7R)-5-amino-2-(4-fluorophenyl)-7-phenyl-7H-pyrano[2,3-d][1,3]thiazole-6-carbonitrile?
The IUPAC name of (7R)-5-amino-2-(4-fluorophenyl)-7-phenyl-7H-pyrano[2,3-d][1,3]thiazole-6-carbonitrile (CID 132583077) is (7R)-5-amino-2-(4-fluorophenyl)-7-phenyl-7H-pyrano[2,3-d][1,3]thiazole-6-carbonitrile.
What is the SMILES notation for (7R)-5-amino-2-(4-fluorophenyl)-7-phenyl-7H-pyrano[2,3-d][1,3]thiazole-6-carbonitrile?
The canonical SMILES for (7R)-5-amino-2-(4-fluorophenyl)-7-phenyl-7H-pyrano[2,3-d][1,3]thiazole-6-carbonitrile is N#CC1=C(N)Oc2nc(-c3ccc(F)cc3)sc2[C@@H]1c1ccccc1.
What is the InChIKey of (7R)-5-amino-2-(4-fluorophenyl)-7-phenyl-7H-pyrano[2,3-d][1,3]thiazole-6-carbonitrile?
The InChIKey is JBEFASPLOIHRRC-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H12FN3OS/c20-13-8-6-12(7-9-13)19-23-18-16(25-19)15(11-4-2-1-3-5-11)14(10-21)17(22)24-18/h1-9,15H,22H2/t15-/m1/s1.
What are the key properties of (7R)-5-amino-2-(4-fluorophenyl)-7-phenyl-7H-pyrano[2,3-d][1,3]thiazole-6-carbonitrile?
(7R)-5-amino-2-(4-fluorophenyl)-7-phenyl-7H-pyrano[2,3-d][1,3]thiazole-6-carbonitrile has a molecular weight of 349.39 g/mol, XLogP of 4.17, 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-(4-fluorophenyl)-7-phenyl-7H-pyrano[2,3-d][1,3]thiazole-6-carbonitrile is sourced from PubChem (CID 132583077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).