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

C21H15Cl2N3O3S — CID 10161656

IUPACN-benzyl-6-[(3,4-dichlorophenyl)methyl]-5,7-dioxo-[1,3]thiazolo[3,2-c]pyrimidine-2-carboxamide
SMILESO=C(NCc1ccccc1)c1cn2c(=O)n(Cc3ccc(Cl)c(Cl)c3)c(=O)cc2s1
InChIInChI=1S/C21H15Cl2N3O3S/c22-15-7-6-14(8-16(15)23)11-25-18(27)9-19-26(21(25)29)12-17(30-19)20(28)24-10-13-4-2-1-3-5-13/h1-9,12H,10-11H2,(H,24,28)
InChIKeyVPJXJMYLQQEEKD-UHFFFAOYSA-N
MW460.34 g/mol
LogP3.81
Rot. Bonds5

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

N-benzyl-6-[(3,4-dichlorophenyl)methyl]-5,7-dioxo-[1,3]thiazolo[3,2-c]pyrimidine-2-carboxamide (PubChem CID 10161656) has the molecular formula C21H15Cl2N3O3S and a molecular weight of 460.34 g/mol. Its IUPAC name is N-benzyl-6-[(3,4-dichlorophenyl)methyl]-5,7-dioxo-[1,3]thiazolo[3,2-c]pyrimidine-2-carboxamide.

Molecular Properties

Compound NameN-benzyl-6-[(3,4-dichlorophenyl)methyl]-5,7-dioxo-[1,3]thiazolo[3,2-c]pyrimidine-2-carboxamide
PubChem CID10161656
Molecular FormulaC21H15Cl2N3O3S
Molecular Weight460.34 g/mol
Exact Mass459.02
IUPAC NameN-benzyl-6-[(3,4-dichlorophenyl)methyl]-5,7-dioxo-[1,3]thiazolo[3,2-c]pyrimidine-2-carboxamide
SMILESO=C(NCc1ccccc1)c1cn2c(=O)n(Cc3ccc(Cl)c(Cl)c3)c(=O)cc2s1
InChIInChI=1S/C21H15Cl2N3O3S/c22-15-7-6-14(8-16(15)23)11-25-18(27)9-19-26(21(25)29)12-17(30-19)20(28)24-10-13-4-2-1-3-5-13/h1-9,12H,10-11H2,(H,24,28)
InChIKeyVPJXJMYLQQEEKD-UHFFFAOYSA-N
XLogP3.81
TPSA72.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.34
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-benzyl-6-[(3,4-dichlorophenyl)methyl]-5,7-dioxo-[1,3]thiazolo[3,2-c]pyrimidine-2-carboxamide 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-(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-[(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
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
1,3-Bis[(3,4-dichlorophenyl)methyl]-5-fluoropyrimidine-2,4-dione
CID 1711888
N-[(3,4-dichlorophenyl)methyl]-3-[(4-fluorophenyl)methyl]-4-methyl-2-oxo-1,3-thiazole-5-carboxamide
CID 129316338
6-[(4-chloro-3-fluorophenyl)methyl]-8-methyl-5,7-dioxo-N-[(6-oxo-1H-pyridin-3-yl)methyl]-[1,3]thiazolo[3,2-c]pyrimidine-2-carboxamide
CID 69619893

Frequently Asked Questions

What is the IUPAC name of N-benzyl-6-[(3,4-dichlorophenyl)methyl]-5,7-dioxo-[1,3]thiazolo[3,2-c]pyrimidine-2-carboxamide?
The IUPAC name of N-benzyl-6-[(3,4-dichlorophenyl)methyl]-5,7-dioxo-[1,3]thiazolo[3,2-c]pyrimidine-2-carboxamide (CID 10161656) is N-benzyl-6-[(3,4-dichlorophenyl)methyl]-5,7-dioxo-[1,3]thiazolo[3,2-c]pyrimidine-2-carboxamide.
What is the SMILES notation for N-benzyl-6-[(3,4-dichlorophenyl)methyl]-5,7-dioxo-[1,3]thiazolo[3,2-c]pyrimidine-2-carboxamide?
The canonical SMILES for N-benzyl-6-[(3,4-dichlorophenyl)methyl]-5,7-dioxo-[1,3]thiazolo[3,2-c]pyrimidine-2-carboxamide is O=C(NCc1ccccc1)c1cn2c(=O)n(Cc3ccc(Cl)c(Cl)c3)c(=O)cc2s1.
What is the InChIKey of N-benzyl-6-[(3,4-dichlorophenyl)methyl]-5,7-dioxo-[1,3]thiazolo[3,2-c]pyrimidine-2-carboxamide?
The InChIKey is VPJXJMYLQQEEKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15Cl2N3O3S/c22-15-7-6-14(8-16(15)23)11-25-18(27)9-19-26(21(25)29)12-17(30-19)20(28)24-10-13-4-2-1-3-5-13/h1-9,12H,10-11H2,(H,24,28).
What are the key properties of N-benzyl-6-[(3,4-dichlorophenyl)methyl]-5,7-dioxo-[1,3]thiazolo[3,2-c]pyrimidine-2-carboxamide?
N-benzyl-6-[(3,4-dichlorophenyl)methyl]-5,7-dioxo-[1,3]thiazolo[3,2-c]pyrimidine-2-carboxamide has a molecular weight of 460.34 g/mol, XLogP of 3.81, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-6-[(3,4-dichlorophenyl)methyl]-5,7-dioxo-[1,3]thiazolo[3,2-c]pyrimidine-2-carboxamide is sourced from PubChem (CID 10161656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).