2-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]-N-ethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide

C22H19ClN4O2S — CID 135892380

IUPAC2-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]-N-ethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide
SMILESCCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)Cc1csc(-c2cccc(Cl)c2)n1
InChIInChI=1S/C22H19ClN4O2S/c1-2-27(12-19-25-18-9-4-3-8-17(18)21(29)26-19)20(28)11-16-13-30-22(24-16)14-6-5-7-15(23)10-14/h3-10,13H,2,11-12H2,1H3,(H,25,26,29)
InChIKeyUDUGBEANXUFMNE-UHFFFAOYSA-N
MW438.94 g/mol
LogP4.29
Rot. Bonds6

About 2-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]-N-ethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide

2-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]-N-ethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide (PubChem CID 135892380) has the molecular formula C22H19ClN4O2S and a molecular weight of 438.94 g/mol. Its IUPAC name is 2-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]-N-ethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide.

Molecular Properties

Compound Name2-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]-N-ethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide
PubChem CID135892380
Molecular FormulaC22H19ClN4O2S
Molecular Weight438.94 g/mol
Exact Mass438.09
IUPAC Name2-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]-N-ethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide
SMILESCCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)Cc1csc(-c2cccc(Cl)c2)n1
InChIInChI=1S/C22H19ClN4O2S/c1-2-27(12-19-25-18-9-4-3-8-17(18)21(29)26-19)20(28)11-16-13-30-22(24-16)14-6-5-7-15(23)10-14/h3-10,13H,2,11-12H2,1H3,(H,25,26,29)
InChIKeyUDUGBEANXUFMNE-UHFFFAOYSA-N
XLogP4.29
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.94
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2,4-dichlorophenyl)-N-ethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide
CID 135820980
2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]-N-(2-methoxyethyl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide
CID 135854773
N-(oxolan-2-ylmethyl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-2-(2-phenyl-1,3-thiazol-4-yl)acetamide
CID 135587848
N-[(3-chlorophenyl)methyl]-N-ethyl-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetamide
CID 55594311
2-chloro-N-ethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide;hydrochloride
CID 146086015
N-ethyl-2-imidazo[2,1-b][1,3]thiazol-6-yl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide
CID 135788199
N-methyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-2-phenyl-1,3-thiazole-4-carboxamide
CID 135899747
2,4-dichloro-N-[2-[ethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]-2-oxoethyl]benzamide
CID 135953923
N,N-diethyl-2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetamide
CID 78809222
N-ethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-3-(5-phenylfuran-2-yl)propanamide
CID 135821176
N-[(7-chloro-4-oxo-3H-quinazolin-2-yl)methyl]-N-ethyl-3-phenylbutanamide
CID 135903797
N-[(7-chloro-4-oxo-3H-quinazolin-2-yl)methyl]-2-(3-chlorophenoxy)-N-ethylacetamide
CID 135875144

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]-N-ethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide?
The IUPAC name of 2-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]-N-ethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide (CID 135892380) is 2-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]-N-ethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide.
What is the SMILES notation for 2-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]-N-ethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide?
The canonical SMILES for 2-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]-N-ethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide is CCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)Cc1csc(-c2cccc(Cl)c2)n1.
What is the InChIKey of 2-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]-N-ethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide?
The InChIKey is UDUGBEANXUFMNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19ClN4O2S/c1-2-27(12-19-25-18-9-4-3-8-17(18)21(29)26-19)20(28)11-16-13-30-22(24-16)14-6-5-7-15(23)10-14/h3-10,13H,2,11-12H2,1H3,(H,25,26,29).
What are the key properties of 2-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]-N-ethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide?
2-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]-N-ethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide has a molecular weight of 438.94 g/mol, XLogP of 4.29, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]-N-ethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide is sourced from PubChem (CID 135892380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).