2-[[6-amino-3,5-dicyano-4-(4-ethylphenyl)-2-pyridinyl]sulfanyl]-N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]propanamide

C27H20Cl2N6OS2 — CID 23772531

IUPAC2-[[6-amino-3,5-dicyano-4-(4-ethylphenyl)-2-pyridinyl]sulfanyl]-N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]propanamide
SMILESCCc1ccc(-c2c(C#N)c(N)nc(SC(C)C(=O)Nc3nc(-c4ccc(Cl)cc4Cl)cs3)c2C#N)cc1
InChIInChI=1S/C27H20Cl2N6OS2/c1-3-15-4-6-16(7-5-15)23-19(11-30)24(32)34-26(20(23)12-31)38-14(2)25(36)35-27-33-22(13-37-27)18-9-8-17(28)10-21(18)29/h4-10,13-14H,3H2,1-2H3,(H2,32,34)(H,33,35,36)
InChIKeyUVPHGJSZHDTHIT-UHFFFAOYSA-N
MW579.54 g/mol
LogP7.19
Rot. Bonds7

About 2-[[6-amino-3,5-dicyano-4-(4-ethylphenyl)-2-pyridinyl]sulfanyl]-N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]propanamide

2-[[6-amino-3,5-dicyano-4-(4-ethylphenyl)-2-pyridinyl]sulfanyl]-N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]propanamide (PubChem CID 23772531) has the molecular formula C27H20Cl2N6OS2 and a molecular weight of 579.54 g/mol. Its IUPAC name is 2-[[6-amino-3,5-dicyano-4-(4-ethylphenyl)-2-pyridinyl]sulfanyl]-N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]propanamide.

Molecular Properties

Compound Name2-[[6-amino-3,5-dicyano-4-(4-ethylphenyl)-2-pyridinyl]sulfanyl]-N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]propanamide
PubChem CID23772531
Molecular FormulaC27H20Cl2N6OS2
Molecular Weight579.54 g/mol
Exact Mass578.05
IUPAC Name2-[[6-amino-3,5-dicyano-4-(4-ethylphenyl)-2-pyridinyl]sulfanyl]-N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]propanamide
SMILESCCc1ccc(-c2c(C#N)c(N)nc(SC(C)C(=O)Nc3nc(-c4ccc(Cl)cc4Cl)cs3)c2C#N)cc1
InChIInChI=1S/C27H20Cl2N6OS2/c1-3-15-4-6-16(7-5-15)23-19(11-30)24(32)34-26(20(23)12-31)38-14(2)25(36)35-27-33-22(13-37-27)18-9-8-17(28)10-21(18)29/h4-10,13-14H,3H2,1-2H3,(H2,32,34)(H,33,35,36)
InChIKeyUVPHGJSZHDTHIT-UHFFFAOYSA-N
XLogP7.19
TPSA128.48 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500579.54
LogP ≤ 57.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

2-[[6-amino-3,5-dicyano-4-(4-methylphenyl)-2-pyridinyl]sulfanyl]-N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]propanamide
CID 23801757
3-[2-[[6-amino-3,5-dicyano-4-(4-ethylphenyl)-2-pyridinyl]sulfanyl]propanoylamino]-4-chlorobenzoic acid
CID 23743386
3-[[6-amino-3,5-dicyano-4-(4-ethylphenyl)-2-pyridinyl]sulfanyl]-N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]propanamide
CID 23889419
2-[(3-cyano-6-methyl-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]-N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]propanamide
CID 23998428
N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-[[3-cyano-6-(4-methoxyphenyl)-4-(4-methylphenyl)-2-pyridinyl]sulfanyl]propanamide
CID 23743405
N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-2-pyridin-2-ylsulfanylpropanamide
CID 23886661
2-benzylsulfanyl-N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]propanamide
CID 23998455
2-amino-4-(2,4-dichlorophenyl)-6-(4-ethylphenyl)pyridine-3-carbonitrile
CID 4636737
4-[2-amino-3,5-dicyano-6-[1-(2,4-dichloroanilino)-1-oxopropan-2-yl]sulfanyl-4-pyridinyl]-3-methyloxadiazol-3-ium-5-olate
CID 53295530
2-[[6-amino-3,5-dicyano-4-(4-ethylphenyl)-2-pyridinyl]sulfanyl]-2-phenylacetic acid
CID 53270249
3-[[6-amino-3,5-dicyano-4-(4-propan-2-ylphenyl)-2-pyridinyl]sulfanyl]-N-(2,4-dichlorophenyl)propanamide
CID 23917237
N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-2-(4,6-diaminopyrimidin-2-yl)sulfanylpropanamide
CID 23743440

Frequently Asked Questions

What is the IUPAC name of 2-[[6-amino-3,5-dicyano-4-(4-ethylphenyl)-2-pyridinyl]sulfanyl]-N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]propanamide?
The IUPAC name of 2-[[6-amino-3,5-dicyano-4-(4-ethylphenyl)-2-pyridinyl]sulfanyl]-N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]propanamide (CID 23772531) is 2-[[6-amino-3,5-dicyano-4-(4-ethylphenyl)-2-pyridinyl]sulfanyl]-N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]propanamide.
What is the SMILES notation for 2-[[6-amino-3,5-dicyano-4-(4-ethylphenyl)-2-pyridinyl]sulfanyl]-N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]propanamide?
The canonical SMILES for 2-[[6-amino-3,5-dicyano-4-(4-ethylphenyl)-2-pyridinyl]sulfanyl]-N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]propanamide is CCc1ccc(-c2c(C#N)c(N)nc(SC(C)C(=O)Nc3nc(-c4ccc(Cl)cc4Cl)cs3)c2C#N)cc1.
What is the InChIKey of 2-[[6-amino-3,5-dicyano-4-(4-ethylphenyl)-2-pyridinyl]sulfanyl]-N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]propanamide?
The InChIKey is UVPHGJSZHDTHIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H20Cl2N6OS2/c1-3-15-4-6-16(7-5-15)23-19(11-30)24(32)34-26(20(23)12-31)38-14(2)25(36)35-27-33-22(13-37-27)18-9-8-17(28)10-21(18)29/h4-10,13-14H,3H2,1-2H3,(H2,32,34)(H,33,35,36).
What are the key properties of 2-[[6-amino-3,5-dicyano-4-(4-ethylphenyl)-2-pyridinyl]sulfanyl]-N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]propanamide?
2-[[6-amino-3,5-dicyano-4-(4-ethylphenyl)-2-pyridinyl]sulfanyl]-N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]propanamide has a molecular weight of 579.54 g/mol, XLogP of 7.19, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-amino-3,5-dicyano-4-(4-ethylphenyl)-2-pyridinyl]sulfanyl]-N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]propanamide is sourced from PubChem (CID 23772531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).