2-amino-4-(4-hydroxyphenyl)-6-[(2-morpholin-4-yl-1,3-thiazol-4-yl)methylsulfanyl]pyridine-3,5-dicarbonitrile

C21H18N6O2S2 — CID 137133425

IUPAC2-amino-4-(4-hydroxyphenyl)-6-[(2-morpholin-4-yl-1,3-thiazol-4-yl)methylsulfanyl]pyridine-3,5-dicarbonitrile
SMILESN#Cc1c(N)nc(SCc2csc(N3CCOCC3)n2)c(C#N)c1-c1ccc(O)cc1
InChIInChI=1S/C21H18N6O2S2/c22-9-16-18(13-1-3-15(28)4-2-13)17(10-23)20(26-19(16)24)30-11-14-12-31-21(25-14)27-5-7-29-8-6-27/h1-4,12,28H,5-8,11H2,(H2,24,26)
InChIKeyOPYZKYIRDOJULV-UHFFFAOYSA-N
MW450.55 g/mol
LogP3.37
Rot. Bonds5

About 2-amino-4-(4-hydroxyphenyl)-6-[(2-morpholin-4-yl-1,3-thiazol-4-yl)methylsulfanyl]pyridine-3,5-dicarbonitrile

2-amino-4-(4-hydroxyphenyl)-6-[(2-morpholin-4-yl-1,3-thiazol-4-yl)methylsulfanyl]pyridine-3,5-dicarbonitrile (PubChem CID 137133425) has the molecular formula C21H18N6O2S2 and a molecular weight of 450.55 g/mol. Its IUPAC name is 2-amino-4-(4-hydroxyphenyl)-6-[(2-morpholin-4-yl-1,3-thiazol-4-yl)methylsulfanyl]pyridine-3,5-dicarbonitrile.

Molecular Properties

Compound Name2-amino-4-(4-hydroxyphenyl)-6-[(2-morpholin-4-yl-1,3-thiazol-4-yl)methylsulfanyl]pyridine-3,5-dicarbonitrile
PubChem CID137133425
Molecular FormulaC21H18N6O2S2
Molecular Weight450.55 g/mol
Exact Mass450.09
IUPAC Name2-amino-4-(4-hydroxyphenyl)-6-[(2-morpholin-4-yl-1,3-thiazol-4-yl)methylsulfanyl]pyridine-3,5-dicarbonitrile
SMILESN#Cc1c(N)nc(SCc2csc(N3CCOCC3)n2)c(C#N)c1-c1ccc(O)cc1
InChIInChI=1S/C21H18N6O2S2/c22-9-16-18(13-1-3-15(28)4-2-13)17(10-23)20(26-19(16)24)30-11-14-12-31-21(25-14)27-5-7-29-8-6-27/h1-4,12,28H,5-8,11H2,(H2,24,26)
InChIKeyOPYZKYIRDOJULV-UHFFFAOYSA-N
XLogP3.37
TPSA132.08 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.55
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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Related Compounds

2-Amino-4-(4-methoxyphenyl)-6-[(2-phenyl-1,3-thiazol-4-yl)methylsulfanyl]pyridine-3,5-dicarbonitrile
CID 122188748
2-Amino-4-(4-methoxyphenyl)-6-[(2-morpholin-4-yl-1,3-thiazol-4-yl)methylsulfanyl]pyridine-3,5-dicarbonitrile
CID 122188749
2-Amino-4-(4-hydroxyphenyl)-6-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methylsulfanyl]pyridine-3,5-dicarbonitrile
CID 137133416
2-Amino-6-[[2-(3-fluorophenyl)-1,3-thiazol-4-yl]methylsulfanyl]-4-(4-hydroxyphenyl)pyridine-3,5-dicarbonitrile
CID 137133418
2-Amino-6-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methylsulfanyl]-4-(4-hydroxyphenyl)pyridine-3,5-dicarbonitrile
CID 137133420
2-Amino-4-(4-hydroxyphenyl)-6-[(2-phenyl-1,3-thiazol-4-yl)methylsulfanyl]pyridine-3,5-dicarbonitrile
CID 137133421
2-Amino-6-[[2-(2-fluorophenyl)-1,3-thiazol-4-yl]methylsulfanyl]-4-(4-hydroxyphenyl)pyridine-3,5-dicarbonitrile
CID 137133422
2-Amino-4-(4-hydroxyphenyl)-6-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methylsulfanyl]pyridine-3,5-dicarbonitrile
CID 137133426
2-Amino-4-[4-(2-azidoethoxy)phenyl]-6-[({2-[(4-fluorophenyl)amino]-1,3-thiazol-4-yl}methyl)thio]pyridine-3,5-dicarbonitrile
CID 86624336
2-Amino-4-[4-(2-aminoethoxy)phenyl]-6-[[2-(4-fluoroanilino)-1,3-thiazol-4-yl]methylsulfanyl]pyridine-3,5-dicarbonitrile
CID 86624339
2-[[2-(4-Fluoroanilino)-1,3-thiazol-4-yl]methylsulfanyl]-4-[4-(2-hydroxyethoxy)phenyl]-6-(2-hydroxyethylamino)pyridine-3,5-dicarbonitrile
CID 89192400
2-[[2-(6-Chlorohepta-2,4,6-trien-3-yl)-1,3-thiazol-4-yl]methylsulfanyl]-6-[2,2-difluoroethyl(methyl)amino]-4-[4-(2-hydroxyethoxy)phenyl]pyridine-3,5-dicarbonitrile
CID 90942012

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(4-hydroxyphenyl)-6-[(2-morpholin-4-yl-1,3-thiazol-4-yl)methylsulfanyl]pyridine-3,5-dicarbonitrile?
The IUPAC name of 2-amino-4-(4-hydroxyphenyl)-6-[(2-morpholin-4-yl-1,3-thiazol-4-yl)methylsulfanyl]pyridine-3,5-dicarbonitrile (CID 137133425) is 2-amino-4-(4-hydroxyphenyl)-6-[(2-morpholin-4-yl-1,3-thiazol-4-yl)methylsulfanyl]pyridine-3,5-dicarbonitrile.
What is the SMILES notation for 2-amino-4-(4-hydroxyphenyl)-6-[(2-morpholin-4-yl-1,3-thiazol-4-yl)methylsulfanyl]pyridine-3,5-dicarbonitrile?
The canonical SMILES for 2-amino-4-(4-hydroxyphenyl)-6-[(2-morpholin-4-yl-1,3-thiazol-4-yl)methylsulfanyl]pyridine-3,5-dicarbonitrile is N#Cc1c(N)nc(SCc2csc(N3CCOCC3)n2)c(C#N)c1-c1ccc(O)cc1.
What is the InChIKey of 2-amino-4-(4-hydroxyphenyl)-6-[(2-morpholin-4-yl-1,3-thiazol-4-yl)methylsulfanyl]pyridine-3,5-dicarbonitrile?
The InChIKey is OPYZKYIRDOJULV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N6O2S2/c22-9-16-18(13-1-3-15(28)4-2-13)17(10-23)20(26-19(16)24)30-11-14-12-31-21(25-14)27-5-7-29-8-6-27/h1-4,12,28H,5-8,11H2,(H2,24,26).
What are the key properties of 2-amino-4-(4-hydroxyphenyl)-6-[(2-morpholin-4-yl-1,3-thiazol-4-yl)methylsulfanyl]pyridine-3,5-dicarbonitrile?
2-amino-4-(4-hydroxyphenyl)-6-[(2-morpholin-4-yl-1,3-thiazol-4-yl)methylsulfanyl]pyridine-3,5-dicarbonitrile has a molecular weight of 450.55 g/mol, XLogP of 3.37, 5 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(4-hydroxyphenyl)-6-[(2-morpholin-4-yl-1,3-thiazol-4-yl)methylsulfanyl]pyridine-3,5-dicarbonitrile is sourced from PubChem (CID 137133425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).