2-amino-6-[(2-chloro-1,3-thiazol-4-yl)methylsulfanyl]-4-[4-(2-hydroxyethoxy)phenyl]pyridine-3,5-dicarbonitrile

C19H14ClN5O2S2 — CID 24830466

IUPAC2-amino-6-[(2-chloro-1,3-thiazol-4-yl)methylsulfanyl]-4-[4-(2-hydroxyethoxy)phenyl]pyridine-3,5-dicarbonitrile
SMILESN#Cc1c(N)nc(SCc2csc(Cl)n2)c(C#N)c1-c1ccc(OCCO)cc1
InChIInChI=1S/C19H14ClN5O2S2/c20-19-24-12(10-29-19)9-28-18-15(8-22)16(14(7-21)17(23)25-18)11-1-3-13(4-2-11)27-6-5-26/h1-4,10,26H,5-6,9H2,(H2,23,25)
InChIKeyPTOMHYIUXVBTMS-UHFFFAOYSA-N
MW443.94 g/mol
LogP3.85
Rot. Bonds7

About 2-amino-6-[(2-chloro-1,3-thiazol-4-yl)methylsulfanyl]-4-[4-(2-hydroxyethoxy)phenyl]pyridine-3,5-dicarbonitrile

2-amino-6-[(2-chloro-1,3-thiazol-4-yl)methylsulfanyl]-4-[4-(2-hydroxyethoxy)phenyl]pyridine-3,5-dicarbonitrile (PubChem CID 24830466) has the molecular formula C19H14ClN5O2S2 and a molecular weight of 443.94 g/mol. Its IUPAC name is 2-amino-6-[(2-chloro-1,3-thiazol-4-yl)methylsulfanyl]-4-[4-(2-hydroxyethoxy)phenyl]pyridine-3,5-dicarbonitrile.

Molecular Properties

Compound Name2-amino-6-[(2-chloro-1,3-thiazol-4-yl)methylsulfanyl]-4-[4-(2-hydroxyethoxy)phenyl]pyridine-3,5-dicarbonitrile
PubChem CID24830466
Molecular FormulaC19H14ClN5O2S2
Molecular Weight443.94 g/mol
Exact Mass443.03
IUPAC Name2-amino-6-[(2-chloro-1,3-thiazol-4-yl)methylsulfanyl]-4-[4-(2-hydroxyethoxy)phenyl]pyridine-3,5-dicarbonitrile
SMILESN#Cc1c(N)nc(SCc2csc(Cl)n2)c(C#N)c1-c1ccc(OCCO)cc1
InChIInChI=1S/C19H14ClN5O2S2/c20-19-24-12(10-29-19)9-28-18-15(8-22)16(14(7-21)17(23)25-18)11-1-3-13(4-2-11)27-6-5-26/h1-4,10,26H,5-6,9H2,(H2,23,25)
InChIKeyPTOMHYIUXVBTMS-UHFFFAOYSA-N
XLogP3.85
TPSA128.84 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.94
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 2-amino-6-[(2-chloro-1,3-thiazol-4-yl)methylsulfanyl]-4-[4-(2-hydroxyethoxy)phenyl]pyridine-3,5-dicarbonitrile?
The IUPAC name of 2-amino-6-[(2-chloro-1,3-thiazol-4-yl)methylsulfanyl]-4-[4-(2-hydroxyethoxy)phenyl]pyridine-3,5-dicarbonitrile (CID 24830466) is 2-amino-6-[(2-chloro-1,3-thiazol-4-yl)methylsulfanyl]-4-[4-(2-hydroxyethoxy)phenyl]pyridine-3,5-dicarbonitrile.
What is the SMILES notation for 2-amino-6-[(2-chloro-1,3-thiazol-4-yl)methylsulfanyl]-4-[4-(2-hydroxyethoxy)phenyl]pyridine-3,5-dicarbonitrile?
The canonical SMILES for 2-amino-6-[(2-chloro-1,3-thiazol-4-yl)methylsulfanyl]-4-[4-(2-hydroxyethoxy)phenyl]pyridine-3,5-dicarbonitrile is N#Cc1c(N)nc(SCc2csc(Cl)n2)c(C#N)c1-c1ccc(OCCO)cc1.
What is the InChIKey of 2-amino-6-[(2-chloro-1,3-thiazol-4-yl)methylsulfanyl]-4-[4-(2-hydroxyethoxy)phenyl]pyridine-3,5-dicarbonitrile?
The InChIKey is PTOMHYIUXVBTMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClN5O2S2/c20-19-24-12(10-29-19)9-28-18-15(8-22)16(14(7-21)17(23)25-18)11-1-3-13(4-2-11)27-6-5-26/h1-4,10,26H,5-6,9H2,(H2,23,25).
What are the key properties of 2-amino-6-[(2-chloro-1,3-thiazol-4-yl)methylsulfanyl]-4-[4-(2-hydroxyethoxy)phenyl]pyridine-3,5-dicarbonitrile?
2-amino-6-[(2-chloro-1,3-thiazol-4-yl)methylsulfanyl]-4-[4-(2-hydroxyethoxy)phenyl]pyridine-3,5-dicarbonitrile has a molecular weight of 443.94 g/mol, XLogP of 3.85, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-[(2-chloro-1,3-thiazol-4-yl)methylsulfanyl]-4-[4-(2-hydroxyethoxy)phenyl]pyridine-3,5-dicarbonitrile is sourced from PubChem (CID 24830466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).