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

C23H22N6O2S2 — CID 71175759

IUPAC2-amino-4-(4-ethoxyphenyl)-6-[(2-morpholin-4-yl-1,3-thiazol-4-yl)methylsulfanyl]pyridine-3,5-dicarbonitrile
SMILESCCOc1ccc(-c2c(C#N)c(N)nc(SCc3csc(N4CCOCC4)n3)c2C#N)cc1
InChIInChI=1S/C23H22N6O2S2/c1-2-31-17-5-3-15(4-6-17)20-18(11-24)21(26)28-22(19(20)12-25)32-13-16-14-33-23(27-16)29-7-9-30-10-8-29/h3-6,14H,2,7-10,13H2,1H3,(H2,26,28)
InChIKeyURURDLMPYCGFSN-UHFFFAOYSA-N
MW478.60 g/mol
LogP4.06
Rot. Bonds7

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

2-amino-4-(4-ethoxyphenyl)-6-[(2-morpholin-4-yl-1,3-thiazol-4-yl)methylsulfanyl]pyridine-3,5-dicarbonitrile (PubChem CID 71175759) has the molecular formula C23H22N6O2S2 and a molecular weight of 478.60 g/mol. Its IUPAC name is 2-amino-4-(4-ethoxyphenyl)-6-[(2-morpholin-4-yl-1,3-thiazol-4-yl)methylsulfanyl]pyridine-3,5-dicarbonitrile.

Molecular Properties

Compound Name2-amino-4-(4-ethoxyphenyl)-6-[(2-morpholin-4-yl-1,3-thiazol-4-yl)methylsulfanyl]pyridine-3,5-dicarbonitrile
PubChem CID71175759
Molecular FormulaC23H22N6O2S2
Molecular Weight478.60 g/mol
Exact Mass478.12
IUPAC Name2-amino-4-(4-ethoxyphenyl)-6-[(2-morpholin-4-yl-1,3-thiazol-4-yl)methylsulfanyl]pyridine-3,5-dicarbonitrile
SMILESCCOc1ccc(-c2c(C#N)c(N)nc(SCc3csc(N4CCOCC4)n3)c2C#N)cc1
InChIInChI=1S/C23H22N6O2S2/c1-2-31-17-5-3-15(4-6-17)20-18(11-24)21(26)28-22(19(20)12-25)32-13-16-14-33-23(27-16)29-7-9-30-10-8-29/h3-6,14H,2,7-10,13H2,1H3,(H2,26,28)
InChIKeyURURDLMPYCGFSN-UHFFFAOYSA-N
XLogP4.06
TPSA121.08 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.60
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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Related Compounds

2-amino-6-[(2-chloro-1,3-thiazol-4-yl)methylsulfanyl]-4-[4-(2-hydroxyethoxy)phenyl]pyridine-3,5-dicarbonitrile
CID 24830466
2-[[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methylsulfanyl]-4-(4-ethoxyphenyl)-6-pyrrolidin-1-ylpyridine-3,5-dicarbonitrile
CID 123494052
2-amino-4-(4-ethoxyphenyl)-6-(furan-2-ylmethylsulfanyl)pyridine-3,5-dicarbonitrile
CID 28622191
2-amino-4-[4-(2-methoxyethoxy)phenyl]-6-[[2-(2-methyl-1,3-thiazol-5-yl)-1,3-thiazol-4-yl]methylsulfanyl]pyridine-3,5-dicarbonitrile
CID 24830628
2-amino-4-[4-(2-hydroxyethoxy)phenyl]-6-[[2-(4-methylanilino)-1,3-thiazol-4-yl]methylsulfanyl]pyridine-3,5-dicarbonitrile
CID 89229641
2-amino-4-[4-(2-hydroxyethoxy)phenyl]-6-[[2-(4-methoxyanilino)-1,3-thiazol-4-yl]methylsulfanyl]pyridine-3,5-dicarbonitrile
CID 89229589
ethyl 4-[[4-[[6-amino-3,5-dicyano-4-[4-(2-hydroxyethoxy)phenyl]-2-pyridinyl]sulfanylmethyl]-1,3-thiazol-2-yl]amino]benzoate
CID 87545076
2-amino-6-[[2-(4-methylanilino)-1,3-thiazol-4-yl]methylsulfanyl]-4-(4-methylphenyl)pyridine-3,5-dicarbonitrile
CID 143534778
2-amino-4-(2,3-dihydro-1-benzofuran-5-yl)-6-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]pyridine-3,5-dicarbonitrile
CID 23540297
2-amino-6-ethylsulfanyl-4-(4-methoxyphenyl)pyridine-3,5-dicarbonitrile
CID 12826099
2-amino-4-(4-ethoxyphenyl)-6-[2-oxo-2-(2,4,5-trimethylphenyl)ethyl]sulfanylpyridine-3,5-dicarbonitrile
CID 2213614
2-[4-[2-amino-6-[[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methylsulfanyl]-3,5-dicyano-4-pyridinyl]phenoxy]ethyl (2S)-2-[(2-aminoacetyl)amino]-4-methylpentanoate
CID 163504359

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(4-ethoxyphenyl)-6-[(2-morpholin-4-yl-1,3-thiazol-4-yl)methylsulfanyl]pyridine-3,5-dicarbonitrile?
The IUPAC name of 2-amino-4-(4-ethoxyphenyl)-6-[(2-morpholin-4-yl-1,3-thiazol-4-yl)methylsulfanyl]pyridine-3,5-dicarbonitrile (CID 71175759) is 2-amino-4-(4-ethoxyphenyl)-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-ethoxyphenyl)-6-[(2-morpholin-4-yl-1,3-thiazol-4-yl)methylsulfanyl]pyridine-3,5-dicarbonitrile?
The canonical SMILES for 2-amino-4-(4-ethoxyphenyl)-6-[(2-morpholin-4-yl-1,3-thiazol-4-yl)methylsulfanyl]pyridine-3,5-dicarbonitrile is CCOc1ccc(-c2c(C#N)c(N)nc(SCc3csc(N4CCOCC4)n3)c2C#N)cc1.
What is the InChIKey of 2-amino-4-(4-ethoxyphenyl)-6-[(2-morpholin-4-yl-1,3-thiazol-4-yl)methylsulfanyl]pyridine-3,5-dicarbonitrile?
The InChIKey is URURDLMPYCGFSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N6O2S2/c1-2-31-17-5-3-15(4-6-17)20-18(11-24)21(26)28-22(19(20)12-25)32-13-16-14-33-23(27-16)29-7-9-30-10-8-29/h3-6,14H,2,7-10,13H2,1H3,(H2,26,28).
What are the key properties of 2-amino-4-(4-ethoxyphenyl)-6-[(2-morpholin-4-yl-1,3-thiazol-4-yl)methylsulfanyl]pyridine-3,5-dicarbonitrile?
2-amino-4-(4-ethoxyphenyl)-6-[(2-morpholin-4-yl-1,3-thiazol-4-yl)methylsulfanyl]pyridine-3,5-dicarbonitrile has a molecular weight of 478.60 g/mol, XLogP of 4.06, 7 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(4-ethoxyphenyl)-6-[(2-morpholin-4-yl-1,3-thiazol-4-yl)methylsulfanyl]pyridine-3,5-dicarbonitrile is sourced from PubChem (CID 71175759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).