N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2-(4,6,8-trimethyl-2-oxoquinolin-1-yl)acetamide

C20H21N3O3S — CID 39768366

IUPACN-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2-(4,6,8-trimethyl-2-oxoquinolin-1-yl)acetamide
SMILESCC(=O)c1sc(NC(=O)Cn2c(=O)cc(C)c3cc(C)cc(C)c32)nc1C
InChIInChI=1S/C20H21N3O3S/c1-10-6-12(3)18-15(7-10)11(2)8-17(26)23(18)9-16(25)22-20-21-13(4)19(27-20)14(5)24/h6-8H,9H2,1-5H3,(H,21,22,25)
InChIKeyXXJJDSAYUZAKGG-UHFFFAOYSA-N
MW383.47 g/mol
LogP3.53
Rot. Bonds4

About N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2-(4,6,8-trimethyl-2-oxoquinolin-1-yl)acetamide

N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2-(4,6,8-trimethyl-2-oxoquinolin-1-yl)acetamide (PubChem CID 39768366) has the molecular formula C20H21N3O3S and a molecular weight of 383.47 g/mol. Its IUPAC name is N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2-(4,6,8-trimethyl-2-oxoquinolin-1-yl)acetamide.

Molecular Properties

Compound NameN-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2-(4,6,8-trimethyl-2-oxoquinolin-1-yl)acetamide
PubChem CID39768366
Molecular FormulaC20H21N3O3S
Molecular Weight383.47 g/mol
Exact Mass383.13
IUPAC NameN-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2-(4,6,8-trimethyl-2-oxoquinolin-1-yl)acetamide
SMILESCC(=O)c1sc(NC(=O)Cn2c(=O)cc(C)c3cc(C)cc(C)c32)nc1C
InChIInChI=1S/C20H21N3O3S/c1-10-6-12(3)18-15(7-10)11(2)8-17(26)23(18)9-16(25)22-20-21-13(4)19(27-20)14(5)24/h6-8H,9H2,1-5H3,(H,21,22,25)
InChIKeyXXJJDSAYUZAKGG-UHFFFAOYSA-N
XLogP3.53
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.47
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2-(4,6,8-trimethyl-2-oxoquinolin-1-yl)acetamide with MolForge

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Related Compounds

N-(6-chloro-1,3-benzothiazol-2-yl)-2-(4,6,8-trimethyl-2-oxoquinolin-1-yl)acetamide
CID 39764740
2-(4,6,8-trimethyl-2-oxoquinolin-1-yl)-N-(2,4,6-trimethylphenyl)acetamide
CID 39768438
N-phenyl-2-(4,6,8-trimethyl-2-oxoquinolin-1-yl)acetamide
CID 39768322
N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)propanamide
CID 19183925
N-(2-methoxyethyl)-2-(4,6,8-trimethyl-2-oxoquinolin-1-yl)acetamide
CID 39768430
N-cyclohexyl-2-(4,6,8-trimethyl-2-oxoquinolin-1-yl)acetamide
CID 39768332
ethyl 4-carbamoyl-2-methyl-5-[[2-(4,6,8-trimethyl-2-oxoquinolin-1-yl)acetyl]amino]furan-3-carboxylate
CID 39765123
N-phenyl-3-(4,6,8-trimethyl-2-oxoquinolin-1-yl)propanamide
CID 39764939
methyl 2-[[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)acetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 7746549
N-(1,3-benzothiazol-2-yl)-2-(8-methoxy-4-methyl-2-oxoquinolin-1-yl)acetamide
CID 39765147
N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2-phenylsulfanylacetamide
CID 7254698
ethyl 2-[[2-(4,8-dimethyl-2-oxoquinolin-1-yl)acetyl]amino]-1,3-benzothiazole-6-carboxylate
CID 39764325

Frequently Asked Questions

What is the IUPAC name of N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2-(4,6,8-trimethyl-2-oxoquinolin-1-yl)acetamide?
The IUPAC name of N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2-(4,6,8-trimethyl-2-oxoquinolin-1-yl)acetamide (CID 39768366) is N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2-(4,6,8-trimethyl-2-oxoquinolin-1-yl)acetamide.
What is the SMILES notation for N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2-(4,6,8-trimethyl-2-oxoquinolin-1-yl)acetamide?
The canonical SMILES for N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2-(4,6,8-trimethyl-2-oxoquinolin-1-yl)acetamide is CC(=O)c1sc(NC(=O)Cn2c(=O)cc(C)c3cc(C)cc(C)c32)nc1C.
What is the InChIKey of N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2-(4,6,8-trimethyl-2-oxoquinolin-1-yl)acetamide?
The InChIKey is XXJJDSAYUZAKGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O3S/c1-10-6-12(3)18-15(7-10)11(2)8-17(26)23(18)9-16(25)22-20-21-13(4)19(27-20)14(5)24/h6-8H,9H2,1-5H3,(H,21,22,25).
What are the key properties of N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2-(4,6,8-trimethyl-2-oxoquinolin-1-yl)acetamide?
N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2-(4,6,8-trimethyl-2-oxoquinolin-1-yl)acetamide has a molecular weight of 383.47 g/mol, XLogP of 3.53, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2-(4,6,8-trimethyl-2-oxoquinolin-1-yl)acetamide is sourced from PubChem (CID 39768366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).