N-(4-phenyl-1,3-thiazol-2-yl)-3-(4,6,8-trimethylquinolin-2-yl)sulfanylpropanamide

C24H23N3OS2 — CID 39767170

IUPACN-(4-phenyl-1,3-thiazol-2-yl)-3-(4,6,8-trimethylquinolin-2-yl)sulfanylpropanamide
SMILESCc1cc(C)c2nc(SCCC(=O)Nc3nc(-c4ccccc4)cs3)cc(C)c2c1
InChIInChI=1S/C24H23N3OS2/c1-15-11-17(3)23-19(12-15)16(2)13-22(27-23)29-10-9-21(28)26-24-25-20(14-30-24)18-7-5-4-6-8-18/h4-8,11-14H,9-10H2,1-3H3,(H,25,26,28)
InChIKeyYWTXXWJBRPEOGN-UHFFFAOYSA-N
MW433.60 g/mol
LogP6.40
Rot. Bonds6

About N-(4-phenyl-1,3-thiazol-2-yl)-3-(4,6,8-trimethylquinolin-2-yl)sulfanylpropanamide

N-(4-phenyl-1,3-thiazol-2-yl)-3-(4,6,8-trimethylquinolin-2-yl)sulfanylpropanamide (PubChem CID 39767170) has the molecular formula C24H23N3OS2 and a molecular weight of 433.60 g/mol. Its IUPAC name is N-(4-phenyl-1,3-thiazol-2-yl)-3-(4,6,8-trimethylquinolin-2-yl)sulfanylpropanamide.

Molecular Properties

Compound NameN-(4-phenyl-1,3-thiazol-2-yl)-3-(4,6,8-trimethylquinolin-2-yl)sulfanylpropanamide
PubChem CID39767170
Molecular FormulaC24H23N3OS2
Molecular Weight433.60 g/mol
Exact Mass433.13
IUPAC NameN-(4-phenyl-1,3-thiazol-2-yl)-3-(4,6,8-trimethylquinolin-2-yl)sulfanylpropanamide
SMILESCc1cc(C)c2nc(SCCC(=O)Nc3nc(-c4ccccc4)cs3)cc(C)c2c1
InChIInChI=1S/C24H23N3OS2/c1-15-11-17(3)23-19(12-15)16(2)13-22(27-23)29-10-9-21(28)26-24-25-20(14-30-24)18-7-5-4-6-8-18/h4-8,11-14H,9-10H2,1-3H3,(H,25,26,28)
InChIKeyYWTXXWJBRPEOGN-UHFFFAOYSA-N
XLogP6.40
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.60
LogP ≤ 56.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(4,8-dimethylquinolin-2-yl)sulfanyl-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]propanamide
CID 39766703
N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-3-pyridin-2-ylsulfanylpropanamide
CID 23833216
N-(4-phenyl-1,3-thiazol-2-yl)-3-quinolin-2-ylsulfanylpropanamide
CID 39765830
N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3-(6-phenylpyrimidin-4-yl)sulfanylpropanamide
CID 46304999
3-[[4,5-bis(4-methylphenyl)-1H-imidazol-2-yl]sulfanyl]-N-(4-phenyl-1,3-thiazol-2-yl)propanamide
CID 23745934
4-oxo-4-[(4-phenyl-1,3-thiazol-2-yl)amino]butanoic acid
CID 804919
3-(4,8-dimethylquinolin-2-yl)sulfanyl-N-(1,3-thiazol-2-yl)propanamide
CID 39766697
3-(3-chloro-4-methylphenyl)-N-(4-phenyl-1,3-thiazol-2-yl)propanamide
CID 18267524
N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-3-(4,6,8-trimethyl-2-oxoquinolin-1-yl)propanamide
CID 39765036
diethyl 2-methyl-5-[3-(4,6,8-trimethylquinolin-2-yl)sulfanylpropanoylamino]furan-3,4-dicarboxylate
CID 39767306
4-(2,6-dimethylphenoxy)-N-(4-phenyl-1,3-thiazol-2-yl)butanamide
CID 108769761
N-[4-(4-methoxy-3-methylphenyl)-1,3-thiazol-2-yl]-3-(4-methylphenyl)sulfanylpropanamide
CID 7545224

Frequently Asked Questions

What is the IUPAC name of N-(4-phenyl-1,3-thiazol-2-yl)-3-(4,6,8-trimethylquinolin-2-yl)sulfanylpropanamide?
The IUPAC name of N-(4-phenyl-1,3-thiazol-2-yl)-3-(4,6,8-trimethylquinolin-2-yl)sulfanylpropanamide (CID 39767170) is N-(4-phenyl-1,3-thiazol-2-yl)-3-(4,6,8-trimethylquinolin-2-yl)sulfanylpropanamide.
What is the SMILES notation for N-(4-phenyl-1,3-thiazol-2-yl)-3-(4,6,8-trimethylquinolin-2-yl)sulfanylpropanamide?
The canonical SMILES for N-(4-phenyl-1,3-thiazol-2-yl)-3-(4,6,8-trimethylquinolin-2-yl)sulfanylpropanamide is Cc1cc(C)c2nc(SCCC(=O)Nc3nc(-c4ccccc4)cs3)cc(C)c2c1.
What is the InChIKey of N-(4-phenyl-1,3-thiazol-2-yl)-3-(4,6,8-trimethylquinolin-2-yl)sulfanylpropanamide?
The InChIKey is YWTXXWJBRPEOGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3OS2/c1-15-11-17(3)23-19(12-15)16(2)13-22(27-23)29-10-9-21(28)26-24-25-20(14-30-24)18-7-5-4-6-8-18/h4-8,11-14H,9-10H2,1-3H3,(H,25,26,28).
What are the key properties of N-(4-phenyl-1,3-thiazol-2-yl)-3-(4,6,8-trimethylquinolin-2-yl)sulfanylpropanamide?
N-(4-phenyl-1,3-thiazol-2-yl)-3-(4,6,8-trimethylquinolin-2-yl)sulfanylpropanamide has a molecular weight of 433.60 g/mol, XLogP of 6.40, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-phenyl-1,3-thiazol-2-yl)-3-(4,6,8-trimethylquinolin-2-yl)sulfanylpropanamide is sourced from PubChem (CID 39767170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).