6-benzyl-N-[(3,4-dichlorophenyl)methyl]-8-methyl-5,7-dioxo-[1,3]thiazolo[3,2-c]pyrimidine-2-carboxamide

C22H17Cl2N3O3S — CID 10205663

IUPAC6-benzyl-N-[(3,4-dichlorophenyl)methyl]-8-methyl-5,7-dioxo-[1,3]thiazolo[3,2-c]pyrimidine-2-carboxamide
SMILESCc1c(=O)n(Cc2ccccc2)c(=O)n2cc(C(=O)NCc3ccc(Cl)c(Cl)c3)sc12
InChIInChI=1S/C22H17Cl2N3O3S/c1-13-20(29)26(11-14-5-3-2-4-6-14)22(30)27-12-18(31-21(13)27)19(28)25-10-15-7-8-16(23)17(24)9-15/h2-9,12H,10-11H2,1H3,(H,25,28)
InChIKeyXVUOGDFQOUREDB-UHFFFAOYSA-N
MW474.37 g/mol
LogP4.12
Rot. Bonds5

About 6-benzyl-N-[(3,4-dichlorophenyl)methyl]-8-methyl-5,7-dioxo-[1,3]thiazolo[3,2-c]pyrimidine-2-carboxamide

6-benzyl-N-[(3,4-dichlorophenyl)methyl]-8-methyl-5,7-dioxo-[1,3]thiazolo[3,2-c]pyrimidine-2-carboxamide (PubChem CID 10205663) has the molecular formula C22H17Cl2N3O3S and a molecular weight of 474.37 g/mol. Its IUPAC name is 6-benzyl-N-[(3,4-dichlorophenyl)methyl]-8-methyl-5,7-dioxo-[1,3]thiazolo[3,2-c]pyrimidine-2-carboxamide.

Molecular Properties

Compound Name6-benzyl-N-[(3,4-dichlorophenyl)methyl]-8-methyl-5,7-dioxo-[1,3]thiazolo[3,2-c]pyrimidine-2-carboxamide
PubChem CID10205663
Molecular FormulaC22H17Cl2N3O3S
Molecular Weight474.37 g/mol
Exact Mass473.04
IUPAC Name6-benzyl-N-[(3,4-dichlorophenyl)methyl]-8-methyl-5,7-dioxo-[1,3]thiazolo[3,2-c]pyrimidine-2-carboxamide
SMILESCc1c(=O)n(Cc2ccccc2)c(=O)n2cc(C(=O)NCc3ccc(Cl)c(Cl)c3)sc12
InChIInChI=1S/C22H17Cl2N3O3S/c1-13-20(29)26(11-14-5-3-2-4-6-14)22(30)27-12-18(31-21(13)27)19(28)25-10-15-7-8-16(23)17(24)9-15/h2-9,12H,10-11H2,1H3,(H,25,28)
InChIKeyXVUOGDFQOUREDB-UHFFFAOYSA-N
XLogP4.12
TPSA72.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.37
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-(3,4-Dichloro-benzylamino)-3-(4-methoxy-butyl)-1H-pyrimidine-2,4-dione
CID 11057774
3-[(3,4-dichlorophenyl)methyl]-N-[(4-fluorophenyl)methyl]-4-methyl-2-oxo-1,3-thiazole-5-carboxamide
CID 46942420
N-(benzylcarbamoyl)-2-[(3,4-dichlorophenyl)methyl-methylamino]acetamide
CID 2699991
N-[(3,4-dichlorophenyl)methyl]-3-[[4-(dimethylcarbamoyl)phenyl]methyl]-4-methyl-2-oxo-1,3-thiazole-5-carboxamide
CID 46944180
N-[(3,4-dichlorophenyl)methyl]-3-[(4-ethenylphenyl)methyl]-4-methyl-2-oxo-1,3-thiazole-5-carboxamide
CID 49790126
N-[(3,4-dichlorophenyl)methyl]-3-[(3-fluorophenyl)methyl]-4-methyl-2-oxo-1,3-thiazole-5-carboxamide
CID 49795102
1-[1-[(3,4-Dichlorophenyl)methyl]piperidin-4-yl]-5-methylpyrimidine-2,4-dione
CID 137638303
6-benzyl-8-methyl-5,7-dioxo-6,7-dihydro-5H-thiazolo[3,2-c]pyrimidine-2-carboxylic acid 4-chloro-benzylamide
CID 10138119
6-benzyl-8-methyl-5,7-dioxo-6,7-dihydro-5H-thiazolo[3,2-c]pyrimidine-2-carboxylic acid benzylamide
CID 10158171
N-[(3,4-dichlorophenyl)methyl]-4-methyl-3-[(2-methylphenyl)methyl]-2-oxo-1,3-thiazole-5-carboxamide
CID 46942470
N-[(3,4-dichlorophenyl)methyl]-4-methyl-3-[(4-methylphenyl)methyl]-2-oxo-1,3-thiazole-5-carboxamide
CID 46944156
N-[(3,4-dichlorophenyl)methyl]-3-[(2-fluorophenyl)methyl]-4-methyl-2-oxo-1,3-thiazole-5-carboxamide
CID 49790923

Frequently Asked Questions

What is the IUPAC name of 6-benzyl-N-[(3,4-dichlorophenyl)methyl]-8-methyl-5,7-dioxo-[1,3]thiazolo[3,2-c]pyrimidine-2-carboxamide?
The IUPAC name of 6-benzyl-N-[(3,4-dichlorophenyl)methyl]-8-methyl-5,7-dioxo-[1,3]thiazolo[3,2-c]pyrimidine-2-carboxamide (CID 10205663) is 6-benzyl-N-[(3,4-dichlorophenyl)methyl]-8-methyl-5,7-dioxo-[1,3]thiazolo[3,2-c]pyrimidine-2-carboxamide.
What is the SMILES notation for 6-benzyl-N-[(3,4-dichlorophenyl)methyl]-8-methyl-5,7-dioxo-[1,3]thiazolo[3,2-c]pyrimidine-2-carboxamide?
The canonical SMILES for 6-benzyl-N-[(3,4-dichlorophenyl)methyl]-8-methyl-5,7-dioxo-[1,3]thiazolo[3,2-c]pyrimidine-2-carboxamide is Cc1c(=O)n(Cc2ccccc2)c(=O)n2cc(C(=O)NCc3ccc(Cl)c(Cl)c3)sc12.
What is the InChIKey of 6-benzyl-N-[(3,4-dichlorophenyl)methyl]-8-methyl-5,7-dioxo-[1,3]thiazolo[3,2-c]pyrimidine-2-carboxamide?
The InChIKey is XVUOGDFQOUREDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17Cl2N3O3S/c1-13-20(29)26(11-14-5-3-2-4-6-14)22(30)27-12-18(31-21(13)27)19(28)25-10-15-7-8-16(23)17(24)9-15/h2-9,12H,10-11H2,1H3,(H,25,28).
What are the key properties of 6-benzyl-N-[(3,4-dichlorophenyl)methyl]-8-methyl-5,7-dioxo-[1,3]thiazolo[3,2-c]pyrimidine-2-carboxamide?
6-benzyl-N-[(3,4-dichlorophenyl)methyl]-8-methyl-5,7-dioxo-[1,3]thiazolo[3,2-c]pyrimidine-2-carboxamide has a molecular weight of 474.37 g/mol, XLogP of 4.12, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-benzyl-N-[(3,4-dichlorophenyl)methyl]-8-methyl-5,7-dioxo-[1,3]thiazolo[3,2-c]pyrimidine-2-carboxamide is sourced from PubChem (CID 10205663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).