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

C24H20N8O2S2 — CID 24772854

IUPAC2-amino-4-[6-(2-hydroxyethoxy)-3-pyridinyl]-6-[[2-[(6-methyl-3-pyridinyl)amino]-1,3-thiazol-4-yl]methylsulfanyl]pyridine-3,5-dicarbonitrile
SMILESCc1ccc(Nc2nc(CSc3nc(N)c(C#N)c(-c4ccc(OCCO)nc4)c3C#N)cs2)cn1
InChIInChI=1S/C24H20N8O2S2/c1-14-2-4-16(11-28-14)30-24-31-17(13-36-24)12-35-23-19(9-26)21(18(8-25)22(27)32-23)15-3-5-20(29-10-15)34-7-6-33/h2-5,10-11,13,33H,6-7,12H2,1H3,(H2,27,32)(H,30,31)
InChIKeyOOCUCGSUCRPQCL-UHFFFAOYSA-N
MW516.61 g/mol
LogP4.04
Rot. Bonds9

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

2-amino-4-[6-(2-hydroxyethoxy)-3-pyridinyl]-6-[[2-[(6-methyl-3-pyridinyl)amino]-1,3-thiazol-4-yl]methylsulfanyl]pyridine-3,5-dicarbonitrile (PubChem CID 24772854) has the molecular formula C24H20N8O2S2 and a molecular weight of 516.61 g/mol. Its IUPAC name is 2-amino-4-[6-(2-hydroxyethoxy)-3-pyridinyl]-6-[[2-[(6-methyl-3-pyridinyl)amino]-1,3-thiazol-4-yl]methylsulfanyl]pyridine-3,5-dicarbonitrile.

Molecular Properties

Compound Name2-amino-4-[6-(2-hydroxyethoxy)-3-pyridinyl]-6-[[2-[(6-methyl-3-pyridinyl)amino]-1,3-thiazol-4-yl]methylsulfanyl]pyridine-3,5-dicarbonitrile
PubChem CID24772854
Molecular FormulaC24H20N8O2S2
Molecular Weight516.61 g/mol
Exact Mass516.12
IUPAC Name2-amino-4-[6-(2-hydroxyethoxy)-3-pyridinyl]-6-[[2-[(6-methyl-3-pyridinyl)amino]-1,3-thiazol-4-yl]methylsulfanyl]pyridine-3,5-dicarbonitrile
SMILESCc1ccc(Nc2nc(CSc3nc(N)c(C#N)c(-c4ccc(OCCO)nc4)c3C#N)cs2)cn1
InChIInChI=1S/C24H20N8O2S2/c1-14-2-4-16(11-28-14)30-24-31-17(13-36-24)12-35-23-19(9-26)21(18(8-25)22(27)32-23)15-3-5-20(29-10-15)34-7-6-33/h2-5,10-11,13,33H,6-7,12H2,1H3,(H2,27,32)(H,30,31)
InChIKeyOOCUCGSUCRPQCL-UHFFFAOYSA-N
XLogP4.04
TPSA166.65 Ų
H-Bond Donors3
H-Bond Acceptors12
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500516.61
LogP ≤ 54.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1012

Analyze 2-amino-4-[6-(2-hydroxyethoxy)-3-pyridinyl]-6-[[2-[(6-methyl-3-pyridinyl)amino]-1,3-thiazol-4-yl]methylsulfanyl]pyridine-3,5-dicarbonitrile with MolForge

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Launch Full Analysis

Related Compounds

4-[4-[2-(2-methoxyethoxy)-4-pyridinyl]phenyl]-N-(6-methyl-2-pyridinyl)-1,3-thiazol-2-amine
CID 71615459
4-[4-[6-(2-methoxyethoxy)-3-pyridinyl]phenyl]-N-(6-methyl-2-pyridinyl)-1,3-thiazol-2-amine
CID 71615460
4-[4-(6-methoxy-3-pyridinyl)phenyl]-N-(6-methyl-2-pyridinyl)-1,3-thiazol-2-amine
CID 89427080
2-Amino-4-(4-methoxyphenyl)-6-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methylsulfanyl]pyridine-3,5-dicarbonitrile
CID 122188758
N-(6-methyl-2-pyridinyl)-4-[4-(2-propan-2-yloxy-4-pyridinyl)phenyl]-1,3-thiazol-2-amine
CID 89423316
N-(6-methyl-2-pyridinyl)-4-[4-(6-propan-2-yloxy-3-pyridinyl)phenyl]-1,3-thiazol-2-amine
CID 89427074
2'-Amino-6'-[({2-[(3-chloro-4-fluorophenyl)amino]-1,3-thiazol-4-yl}methyl)thio]-6-(2-hydroxyethoxy)-3,4'-bipyridine-3',5'-dicarbonitrile
CID 24752906
2-Amino-6-[[2-(3,4-difluoroanilino)-1,3-thiazol-4-yl]methylsulfanyl]-4-[6-(2-hydroxyethoxy)-3-pyridinyl]pyridine-3,5-dicarbonitrile
CID 24771922
2-Amino-6-[[2-(3-fluoro-4-methylanilino)-1,3-thiazol-4-yl]methylsulfanyl]-4-[6-(2-hydroxyethoxy)-3-pyridinyl]pyridine-3,5-dicarbonitrile
CID 24771923
2-Amino-6-[[2-(2,3-difluoroanilino)-1,3-thiazol-4-yl]methylsulfanyl]-4-[6-(2-hydroxyethoxy)-3-pyridinyl]pyridine-3,5-dicarbonitrile
CID 24771925
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-[(5-fluoro-2-pyridinyl)amino]-1,3-thiazol-4-yl]methylsulfanyl]-4-[6-(2-hydroxyethoxy)-3-pyridinyl]pyridine-3,5-dicarbonitrile
CID 24771978

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-[6-(2-hydroxyethoxy)-3-pyridinyl]-6-[[2-[(6-methyl-3-pyridinyl)amino]-1,3-thiazol-4-yl]methylsulfanyl]pyridine-3,5-dicarbonitrile?
The IUPAC name of 2-amino-4-[6-(2-hydroxyethoxy)-3-pyridinyl]-6-[[2-[(6-methyl-3-pyridinyl)amino]-1,3-thiazol-4-yl]methylsulfanyl]pyridine-3,5-dicarbonitrile (CID 24772854) is 2-amino-4-[6-(2-hydroxyethoxy)-3-pyridinyl]-6-[[2-[(6-methyl-3-pyridinyl)amino]-1,3-thiazol-4-yl]methylsulfanyl]pyridine-3,5-dicarbonitrile.
What is the SMILES notation for 2-amino-4-[6-(2-hydroxyethoxy)-3-pyridinyl]-6-[[2-[(6-methyl-3-pyridinyl)amino]-1,3-thiazol-4-yl]methylsulfanyl]pyridine-3,5-dicarbonitrile?
The canonical SMILES for 2-amino-4-[6-(2-hydroxyethoxy)-3-pyridinyl]-6-[[2-[(6-methyl-3-pyridinyl)amino]-1,3-thiazol-4-yl]methylsulfanyl]pyridine-3,5-dicarbonitrile is Cc1ccc(Nc2nc(CSc3nc(N)c(C#N)c(-c4ccc(OCCO)nc4)c3C#N)cs2)cn1.
What is the InChIKey of 2-amino-4-[6-(2-hydroxyethoxy)-3-pyridinyl]-6-[[2-[(6-methyl-3-pyridinyl)amino]-1,3-thiazol-4-yl]methylsulfanyl]pyridine-3,5-dicarbonitrile?
The InChIKey is OOCUCGSUCRPQCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N8O2S2/c1-14-2-4-16(11-28-14)30-24-31-17(13-36-24)12-35-23-19(9-26)21(18(8-25)22(27)32-23)15-3-5-20(29-10-15)34-7-6-33/h2-5,10-11,13,33H,6-7,12H2,1H3,(H2,27,32)(H,30,31).
What are the key properties of 2-amino-4-[6-(2-hydroxyethoxy)-3-pyridinyl]-6-[[2-[(6-methyl-3-pyridinyl)amino]-1,3-thiazol-4-yl]methylsulfanyl]pyridine-3,5-dicarbonitrile?
2-amino-4-[6-(2-hydroxyethoxy)-3-pyridinyl]-6-[[2-[(6-methyl-3-pyridinyl)amino]-1,3-thiazol-4-yl]methylsulfanyl]pyridine-3,5-dicarbonitrile has a molecular weight of 516.61 g/mol, XLogP of 4.04, 9 rotatable bonds, 3 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-[6-(2-hydroxyethoxy)-3-pyridinyl]-6-[[2-[(6-methyl-3-pyridinyl)amino]-1,3-thiazol-4-yl]methylsulfanyl]pyridine-3,5-dicarbonitrile is sourced from PubChem (CID 24772854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).