N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]-2-oxo-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)acetamide

C22H19N3O3S — CID 167881872

IUPACN-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]-2-oxo-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)acetamide
SMILESCc1ccc(-c2csc(NC(=O)C(=O)c3ccc4c(c3)CCC(=O)N4)n2)c(C)c1
InChIInChI=1S/C22H19N3O3S/c1-12-3-6-16(13(2)9-12)18-11-29-22(24-18)25-21(28)20(27)15-4-7-17-14(10-15)5-8-19(26)23-17/h3-4,6-7,9-11H,5,8H2,1-2H3,(H,23,26)(H,24,25,28)
InChIKeyIOSYNNQUKBWQJT-UHFFFAOYSA-N
MW405.48 g/mol
LogP4.13
Rot. Bonds4

About N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]-2-oxo-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)acetamide

N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]-2-oxo-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)acetamide (PubChem CID 167881872) has the molecular formula C22H19N3O3S and a molecular weight of 405.48 g/mol. Its IUPAC name is N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]-2-oxo-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)acetamide.

Molecular Properties

Compound NameN-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]-2-oxo-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)acetamide
PubChem CID167881872
Molecular FormulaC22H19N3O3S
Molecular Weight405.48 g/mol
Exact Mass405.11
IUPAC NameN-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]-2-oxo-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)acetamide
SMILESCc1ccc(-c2csc(NC(=O)C(=O)c3ccc4c(c3)CCC(=O)N4)n2)c(C)c1
InChIInChI=1S/C22H19N3O3S/c1-12-3-6-16(13(2)9-12)18-11-29-22(24-18)25-21(28)20(27)15-4-7-17-14(10-15)5-8-19(26)23-17/h3-4,6-7,9-11H,5,8H2,1-2H3,(H,23,26)(H,24,25,28)
InChIKeyIOSYNNQUKBWQJT-UHFFFAOYSA-N
XLogP4.13
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.48
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

Analyze N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]-2-oxo-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-(2-Amino-1,3-thiazol-4-yl)-1,2,3,4-tetrahydroquinolin-2-one
CID 725400
N-(4-(2,4-Dimethylphenyl)-2-thiazolyl)benzamide
CID 959043
N-(4-mesitylthiazol-2-yl)benzamide
CID 7918451
[5-[2-(Methylamino)-1,3-thiazol-4-yl]-2,3-dihydroindol-1-yl]-(2-methylphenyl)methanone
CID 1450301
N-[3-[2-(naphthalene-2-carbonylamino)-1,3-thiazol-4-yl]phenyl]naphthalene-2-carboxamide
CID 2325470
4-(2,5-dioxopyrrolidin-1-yl)-N-(4-(naphthalen-2-yl)thiazol-2-yl)benzamide
CID 3575426
N-(4-(2-(phenylamino)thiazol-4-yl)phenyl)benzamide
CID 3610835
N-[4-(2-anilino-4-thiazolyl)phenyl]-3-(trifluoromethyl)benzamide
CID 16745796
N-[3-[4-(2-amino-1,3-thiazol-4-yl)phenyl]-4-methylphenyl]-4-[(4-methylpiperazin-1-yl)methyl]benzamide
CID 44580358
4-(4-oxo-3H-quinazolin-2-yl)-N-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]butanamide
CID 135870943
2-methyl-N-(4-methyl-1,3-thiazol-2-yl)quinoline-4-carboxamide
CID 2085562
1-(4-{[4-(4-Fluorophenyl)-1,3-thiazol-2-yl]amino}phenyl)ethanone
CID 2215254

Frequently Asked Questions

What is the IUPAC name of N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]-2-oxo-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)acetamide?
The IUPAC name of N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]-2-oxo-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)acetamide (CID 167881872) is N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]-2-oxo-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)acetamide.
What is the SMILES notation for N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]-2-oxo-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)acetamide?
The canonical SMILES for N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]-2-oxo-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)acetamide is Cc1ccc(-c2csc(NC(=O)C(=O)c3ccc4c(c3)CCC(=O)N4)n2)c(C)c1.
What is the InChIKey of N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]-2-oxo-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)acetamide?
The InChIKey is IOSYNNQUKBWQJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O3S/c1-12-3-6-16(13(2)9-12)18-11-29-22(24-18)25-21(28)20(27)15-4-7-17-14(10-15)5-8-19(26)23-17/h3-4,6-7,9-11H,5,8H2,1-2H3,(H,23,26)(H,24,25,28).
What are the key properties of N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]-2-oxo-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)acetamide?
N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]-2-oxo-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)acetamide has a molecular weight of 405.48 g/mol, XLogP of 4.13, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]-2-oxo-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)acetamide is sourced from PubChem (CID 167881872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).