N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]-3-(2-methyl-4-oxoquinazolin-3-yl)propanamide

C23H22N4O2S — CID 37020742

IUPACN-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]-3-(2-methyl-4-oxoquinazolin-3-yl)propanamide
SMILESCc1ccc(-c2csc(NC(=O)CCn3c(C)nc4ccccc4c3=O)n2)c(C)c1
InChIInChI=1S/C23H22N4O2S/c1-14-8-9-17(15(2)12-14)20-13-30-23(25-20)26-21(28)10-11-27-16(3)24-19-7-5-4-6-18(19)22(27)29/h4-9,12-13H,10-11H2,1-3H3,(H,25,26,28)
InChIKeyQGMWJPKDHDOECE-UHFFFAOYSA-N
MW418.52 g/mol
LogP4.47
Rot. Bonds5

About N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]-3-(2-methyl-4-oxoquinazolin-3-yl)propanamide

N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]-3-(2-methyl-4-oxoquinazolin-3-yl)propanamide (PubChem CID 37020742) has the molecular formula C23H22N4O2S and a molecular weight of 418.52 g/mol. Its IUPAC name is N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]-3-(2-methyl-4-oxoquinazolin-3-yl)propanamide.

Molecular Properties

Compound NameN-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]-3-(2-methyl-4-oxoquinazolin-3-yl)propanamide
PubChem CID37020742
Molecular FormulaC23H22N4O2S
Molecular Weight418.52 g/mol
Exact Mass418.15
IUPAC NameN-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]-3-(2-methyl-4-oxoquinazolin-3-yl)propanamide
SMILESCc1ccc(-c2csc(NC(=O)CCn3c(C)nc4ccccc4c3=O)n2)c(C)c1
InChIInChI=1S/C23H22N4O2S/c1-14-8-9-17(15(2)12-14)20-13-30-23(25-20)26-21(28)10-11-27-16(3)24-19-7-5-4-6-18(19)22(27)29/h4-9,12-13H,10-11H2,1-3H3,(H,25,26,28)
InChIKeyQGMWJPKDHDOECE-UHFFFAOYSA-N
XLogP4.47
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.52
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]-3-(2-methyl-4-oxoquinazolin-3-yl)propanamide
CID 37034606
N-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]-3-(4-oxocinnolin-1-yl)propanamide
CID 16568422
N-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]-3-(4-oxo-3H-quinazolin-2-yl)propanamide
CID 135689544
N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]-2-(2-fluorophenyl)acetamide
CID 8753150
N-[4-(2,5-dichlorophenyl)-1,3-thiazol-2-yl]-3-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide
CID 34809314
2-(2,4-dichlorophenyl)-N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]quinoline-4-carboxamide
CID 5072505
N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-3-(4,6,8-trimethyl-2-oxoquinolin-1-yl)propanamide
CID 39765036
3-(2-methyl-4-oxoquinazolin-3-yl)-N-[(S)-phenyl(thiophen-2-yl)methyl]propanamide
CID 37126887
N-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]-4-(1,3-dioxoisoindol-2-yl)butanamide
CID 4791355
3-(4-oxocinnolin-1-yl)-N-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]propanamide
CID 16568405
N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]-3-ethyl-2,4-dioxo-1H-quinazoline-7-carboxamide
CID 52659842
2-(2,4-dimethylphenyl)-N-(4-methyl-1,3-thiazol-2-yl)quinoline-4-carboxamide
CID 3707825

Frequently Asked Questions

What is the IUPAC name of N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]-3-(2-methyl-4-oxoquinazolin-3-yl)propanamide?
The IUPAC name of N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]-3-(2-methyl-4-oxoquinazolin-3-yl)propanamide (CID 37020742) is N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]-3-(2-methyl-4-oxoquinazolin-3-yl)propanamide.
What is the SMILES notation for N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]-3-(2-methyl-4-oxoquinazolin-3-yl)propanamide?
The canonical SMILES for N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]-3-(2-methyl-4-oxoquinazolin-3-yl)propanamide is Cc1ccc(-c2csc(NC(=O)CCn3c(C)nc4ccccc4c3=O)n2)c(C)c1.
What is the InChIKey of N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]-3-(2-methyl-4-oxoquinazolin-3-yl)propanamide?
The InChIKey is QGMWJPKDHDOECE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O2S/c1-14-8-9-17(15(2)12-14)20-13-30-23(25-20)26-21(28)10-11-27-16(3)24-19-7-5-4-6-18(19)22(27)29/h4-9,12-13H,10-11H2,1-3H3,(H,25,26,28).
What are the key properties of N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]-3-(2-methyl-4-oxoquinazolin-3-yl)propanamide?
N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]-3-(2-methyl-4-oxoquinazolin-3-yl)propanamide has a molecular weight of 418.52 g/mol, XLogP of 4.47, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]-3-(2-methyl-4-oxoquinazolin-3-yl)propanamide is sourced from PubChem (CID 37020742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).