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

C25H20N6S2 — CID 143534778

IUPAC2-amino-6-[[2-(4-methylanilino)-1,3-thiazol-4-yl]methylsulfanyl]-4-(4-methylphenyl)pyridine-3,5-dicarbonitrile
SMILESCc1ccc(Nc2nc(CSc3nc(N)c(C#N)c(-c4ccc(C)cc4)c3C#N)cs2)cc1
InChIInChI=1S/C25H20N6S2/c1-15-3-7-17(8-4-15)22-20(11-26)23(28)31-24(21(22)12-27)32-13-19-14-33-25(30-19)29-18-9-5-16(2)6-10-18/h3-10,14H,13H2,1-2H3,(H2,28,31)(H,29,30)
InChIKeyNZHYERVGGZMANK-UHFFFAOYSA-N
MW468.61 g/mol
LogP6.18
Rot. Bonds6

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

2-amino-6-[[2-(4-methylanilino)-1,3-thiazol-4-yl]methylsulfanyl]-4-(4-methylphenyl)pyridine-3,5-dicarbonitrile (PubChem CID 143534778) has the molecular formula C25H20N6S2 and a molecular weight of 468.61 g/mol. Its IUPAC name is 2-amino-6-[[2-(4-methylanilino)-1,3-thiazol-4-yl]methylsulfanyl]-4-(4-methylphenyl)pyridine-3,5-dicarbonitrile.

Molecular Properties

Compound Name2-amino-6-[[2-(4-methylanilino)-1,3-thiazol-4-yl]methylsulfanyl]-4-(4-methylphenyl)pyridine-3,5-dicarbonitrile
PubChem CID143534778
Molecular FormulaC25H20N6S2
Molecular Weight468.61 g/mol
Exact Mass468.12
IUPAC Name2-amino-6-[[2-(4-methylanilino)-1,3-thiazol-4-yl]methylsulfanyl]-4-(4-methylphenyl)pyridine-3,5-dicarbonitrile
SMILESCc1ccc(Nc2nc(CSc3nc(N)c(C#N)c(-c4ccc(C)cc4)c3C#N)cs2)cc1
InChIInChI=1S/C25H20N6S2/c1-15-3-7-17(8-4-15)22-20(11-26)23(28)31-24(21(22)12-27)32-13-19-14-33-25(30-19)29-18-9-5-16(2)6-10-18/h3-10,14H,13H2,1-2H3,(H2,28,31)(H,29,30)
InChIKeyNZHYERVGGZMANK-UHFFFAOYSA-N
XLogP6.18
TPSA111.41 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.61
LogP ≤ 56.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

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-(2,5-difluoroanilino)-1,3-thiazol-4-yl]methylsulfanyl]-4-(4-methylphenyl)pyridine-3,5-dicarbonitrile;propan-1-ol
CID 143196948
2-amino-6-[[2-(3,4-difluoroanilino)-1,3-thiazol-4-yl]methylsulfanyl]-4-[4-[(3R)-3,4-dihydroxybutyl]phenyl]pyridine-3,5-dicarbonitrile
CID 89332802
2-amino-6-[[2-(3-fluoro-4-methoxyanilino)-1,3-thiazol-4-yl]methylsulfanyl]-4-[6-(2-hydroxyethoxy)-3-pyridinyl]pyridine-3,5-dicarbonitrile
CID 24771926
2-amino-6-[[2-(3-chloro-4-fluoroanilino)-1,3-thiazol-4-yl]methylsulfanyl]-4-[4-[(3S)-3,4-dihydroxybutyl]phenyl]pyridine-3,5-dicarbonitrile
CID 89192363
2-amino-6-[[2-(3-fluoroanilino)-1,3-thiazol-4-yl]methylsulfanyl]-4-[6-(3-hydroxypropyl)-3-pyridinyl]pyridine-3,5-dicarbonitrile
CID 89289759
6-amino-4-[4-(2-azidoethoxy)phenyl]-2-[[2-(4-fluoroanilino)-1,3-thiazol-4-yl]methylsulfanyl]-5-isocyanopyridine-3-carbonitrile
CID 59202001
2-amino-6-[[2-(2,4-difluoroanilino)-1,3-thiazol-4-yl]methylsulfanyl]-4-[4-(3-hydroxypropoxy)phenyl]pyridine-3,5-dicarbonitrile
CID 143196953
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
6-amino-2-[[2-(4-fluoroanilino)-1,3-thiazol-4-yl]methylsulfanyl]-4-[6-(2-hydroxyethoxy)-3-pyridinyl]-5-isocyanopyridine-3-carbonitrile
CID 59278619

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-[[2-(4-methylanilino)-1,3-thiazol-4-yl]methylsulfanyl]-4-(4-methylphenyl)pyridine-3,5-dicarbonitrile?
The IUPAC name of 2-amino-6-[[2-(4-methylanilino)-1,3-thiazol-4-yl]methylsulfanyl]-4-(4-methylphenyl)pyridine-3,5-dicarbonitrile (CID 143534778) is 2-amino-6-[[2-(4-methylanilino)-1,3-thiazol-4-yl]methylsulfanyl]-4-(4-methylphenyl)pyridine-3,5-dicarbonitrile.
What is the SMILES notation for 2-amino-6-[[2-(4-methylanilino)-1,3-thiazol-4-yl]methylsulfanyl]-4-(4-methylphenyl)pyridine-3,5-dicarbonitrile?
The canonical SMILES for 2-amino-6-[[2-(4-methylanilino)-1,3-thiazol-4-yl]methylsulfanyl]-4-(4-methylphenyl)pyridine-3,5-dicarbonitrile is Cc1ccc(Nc2nc(CSc3nc(N)c(C#N)c(-c4ccc(C)cc4)c3C#N)cs2)cc1.
What is the InChIKey of 2-amino-6-[[2-(4-methylanilino)-1,3-thiazol-4-yl]methylsulfanyl]-4-(4-methylphenyl)pyridine-3,5-dicarbonitrile?
The InChIKey is NZHYERVGGZMANK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20N6S2/c1-15-3-7-17(8-4-15)22-20(11-26)23(28)31-24(21(22)12-27)32-13-19-14-33-25(30-19)29-18-9-5-16(2)6-10-18/h3-10,14H,13H2,1-2H3,(H2,28,31)(H,29,30).
What are the key properties of 2-amino-6-[[2-(4-methylanilino)-1,3-thiazol-4-yl]methylsulfanyl]-4-(4-methylphenyl)pyridine-3,5-dicarbonitrile?
2-amino-6-[[2-(4-methylanilino)-1,3-thiazol-4-yl]methylsulfanyl]-4-(4-methylphenyl)pyridine-3,5-dicarbonitrile has a molecular weight of 468.61 g/mol, XLogP of 6.18, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-[[2-(4-methylanilino)-1,3-thiazol-4-yl]methylsulfanyl]-4-(4-methylphenyl)pyridine-3,5-dicarbonitrile is sourced from PubChem (CID 143534778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).