N-(5-benzyl-1,3-thiazol-2-yl)-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide

C22H20N4O2S — CID 17427156

IUPACN-(5-benzyl-1,3-thiazol-2-yl)-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide
SMILESCc1cccc2c(=O)n(CCC(=O)Nc3ncc(Cc4ccccc4)s3)cnc12
InChIInChI=1S/C22H20N4O2S/c1-15-6-5-9-18-20(15)24-14-26(21(18)28)11-10-19(27)25-22-23-13-17(29-22)12-16-7-3-2-4-8-16/h2-9,13-14H,10-12H2,1H3,(H,23,25,27)
InChIKeyZHAQIAKKQDFSSZ-UHFFFAOYSA-N
MW404.50 g/mol
LogP3.78
Rot. Bonds6

About N-(5-benzyl-1,3-thiazol-2-yl)-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide

N-(5-benzyl-1,3-thiazol-2-yl)-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide (PubChem CID 17427156) has the molecular formula C22H20N4O2S and a molecular weight of 404.50 g/mol. Its IUPAC name is N-(5-benzyl-1,3-thiazol-2-yl)-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide.

Molecular Properties

Compound NameN-(5-benzyl-1,3-thiazol-2-yl)-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide
PubChem CID17427156
Molecular FormulaC22H20N4O2S
Molecular Weight404.50 g/mol
Exact Mass404.13
IUPAC NameN-(5-benzyl-1,3-thiazol-2-yl)-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide
SMILESCc1cccc2c(=O)n(CCC(=O)Nc3ncc(Cc4ccccc4)s3)cnc12
InChIInChI=1S/C22H20N4O2S/c1-15-6-5-9-18-20(15)24-14-26(21(18)28)11-10-19(27)25-22-23-13-17(29-22)12-16-7-3-2-4-8-16/h2-9,13-14H,10-12H2,1H3,(H,23,25,27)
InChIKeyZHAQIAKKQDFSSZ-UHFFFAOYSA-N
XLogP3.78
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.50
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2-(8-methyl-4-oxoquinazolin-3-yl)acetamide
CID 46671691
2-(8-methyl-4-oxoquinazolin-3-yl)-N-(5-methyl-1,3-thiazol-2-yl)acetamide
CID 27873413
N-(5-benzyl-1,3-thiazol-2-yl)-2-(2,6-dimethylanilino)acetamide
CID 2240018
N-[5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-yl]-4-(4-oxoquinazolin-3-yl)butanamide
CID 30179121
N'-[3-(8-methyl-4-oxoquinazolin-3-yl)propanoyl]benzohydrazide
CID 25326839
3-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-[5-[(3-fluorophenyl)methyl]-1,3-thiazol-2-yl]propanamide
CID 55614086
3-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]propanamide
CID 55510401
2-methyl-N-[4-[3-(8-methyl-4-oxoquinazolin-3-yl)propanoylamino]phenyl]propanamide
CID 27146491
N-(2,3-dichlorophenyl)-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide
CID 27147913
4-[(5-benzyl-1,3-thiazol-2-yl)amino]-4-oxobutanoic acid
CID 27407164
N-benzyl-N-methyl-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide
CID 26004666
methyl 4,5-dimethyl-2-[3-(8-methyl-4-oxoquinazolin-3-yl)propanoylamino]thiophene-3-carboxylate
CID 27146774

Frequently Asked Questions

What is the IUPAC name of N-(5-benzyl-1,3-thiazol-2-yl)-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide?
The IUPAC name of N-(5-benzyl-1,3-thiazol-2-yl)-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide (CID 17427156) is N-(5-benzyl-1,3-thiazol-2-yl)-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide.
What is the SMILES notation for N-(5-benzyl-1,3-thiazol-2-yl)-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide?
The canonical SMILES for N-(5-benzyl-1,3-thiazol-2-yl)-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide is Cc1cccc2c(=O)n(CCC(=O)Nc3ncc(Cc4ccccc4)s3)cnc12.
What is the InChIKey of N-(5-benzyl-1,3-thiazol-2-yl)-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide?
The InChIKey is ZHAQIAKKQDFSSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O2S/c1-15-6-5-9-18-20(15)24-14-26(21(18)28)11-10-19(27)25-22-23-13-17(29-22)12-16-7-3-2-4-8-16/h2-9,13-14H,10-12H2,1H3,(H,23,25,27).
What are the key properties of N-(5-benzyl-1,3-thiazol-2-yl)-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide?
N-(5-benzyl-1,3-thiazol-2-yl)-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide has a molecular weight of 404.50 g/mol, XLogP of 3.78, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-benzyl-1,3-thiazol-2-yl)-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide is sourced from PubChem (CID 17427156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).