N-[(2,4-dichlorophenyl)methyl]-2-[[4-(2-oxoimidazolidine-4-carbonyl)piperazin-1-yl]methyl]-1,3-thiazole-5-carboxamide

C20H22Cl2N6O3S — CID 118112610

IUPACN-[(2,4-dichlorophenyl)methyl]-2-[[4-(2-oxoimidazolidine-4-carbonyl)piperazin-1-yl]methyl]-1,3-thiazole-5-carboxamide
SMILESO=C1NCC(C(=O)N2CCN(Cc3ncc(C(=O)NCc4ccc(Cl)cc4Cl)s3)CC2)N1
InChIInChI=1S/C20H22Cl2N6O3S/c21-13-2-1-12(14(22)7-13)8-24-18(29)16-10-23-17(32-16)11-27-3-5-28(6-4-27)19(30)15-9-25-20(31)26-15/h1-2,7,10,15H,3-6,8-9,11H2,(H,24,29)(H2,25,26,31)
InChIKeyQKYHWNATSQDIRM-UHFFFAOYSA-N
MW497.41 g/mol
LogP1.71
Rot. Bonds6

About N-[(2,4-dichlorophenyl)methyl]-2-[[4-(2-oxoimidazolidine-4-carbonyl)piperazin-1-yl]methyl]-1,3-thiazole-5-carboxamide

N-[(2,4-dichlorophenyl)methyl]-2-[[4-(2-oxoimidazolidine-4-carbonyl)piperazin-1-yl]methyl]-1,3-thiazole-5-carboxamide (PubChem CID 118112610) has the molecular formula C20H22Cl2N6O3S and a molecular weight of 497.41 g/mol. Its IUPAC name is N-[(2,4-dichlorophenyl)methyl]-2-[[4-(2-oxoimidazolidine-4-carbonyl)piperazin-1-yl]methyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[(2,4-dichlorophenyl)methyl]-2-[[4-(2-oxoimidazolidine-4-carbonyl)piperazin-1-yl]methyl]-1,3-thiazole-5-carboxamide
PubChem CID118112610
Molecular FormulaC20H22Cl2N6O3S
Molecular Weight497.41 g/mol
Exact Mass496.09
IUPAC NameN-[(2,4-dichlorophenyl)methyl]-2-[[4-(2-oxoimidazolidine-4-carbonyl)piperazin-1-yl]methyl]-1,3-thiazole-5-carboxamide
SMILESO=C1NCC(C(=O)N2CCN(Cc3ncc(C(=O)NCc4ccc(Cl)cc4Cl)s3)CC2)N1
InChIInChI=1S/C20H22Cl2N6O3S/c21-13-2-1-12(14(22)7-13)8-24-18(29)16-10-23-17(32-16)11-27-3-5-28(6-4-27)19(30)15-9-25-20(31)26-15/h1-2,7,10,15H,3-6,8-9,11H2,(H,24,29)(H2,25,26,31)
InChIKeyQKYHWNATSQDIRM-UHFFFAOYSA-N
XLogP1.71
TPSA106.67 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.41
LogP ≤ 51.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze N-[(2,4-dichlorophenyl)methyl]-2-[[4-(2-oxoimidazolidine-4-carbonyl)piperazin-1-yl]methyl]-1,3-thiazole-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dichlorophenyl)methyl]-2-[[4-(2-oxoimidazolidine-4-carbonyl)piperazin-1-yl]methyl]-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[(2,4-dichlorophenyl)methyl]-2-[[4-(2-oxoimidazolidine-4-carbonyl)piperazin-1-yl]methyl]-1,3-thiazole-5-carboxamide (CID 118112610) is N-[(2,4-dichlorophenyl)methyl]-2-[[4-(2-oxoimidazolidine-4-carbonyl)piperazin-1-yl]methyl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[(2,4-dichlorophenyl)methyl]-2-[[4-(2-oxoimidazolidine-4-carbonyl)piperazin-1-yl]methyl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[(2,4-dichlorophenyl)methyl]-2-[[4-(2-oxoimidazolidine-4-carbonyl)piperazin-1-yl]methyl]-1,3-thiazole-5-carboxamide is O=C1NCC(C(=O)N2CCN(Cc3ncc(C(=O)NCc4ccc(Cl)cc4Cl)s3)CC2)N1.
What is the InChIKey of N-[(2,4-dichlorophenyl)methyl]-2-[[4-(2-oxoimidazolidine-4-carbonyl)piperazin-1-yl]methyl]-1,3-thiazole-5-carboxamide?
The InChIKey is QKYHWNATSQDIRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22Cl2N6O3S/c21-13-2-1-12(14(22)7-13)8-24-18(29)16-10-23-17(32-16)11-27-3-5-28(6-4-27)19(30)15-9-25-20(31)26-15/h1-2,7,10,15H,3-6,8-9,11H2,(H,24,29)(H2,25,26,31).
What are the key properties of N-[(2,4-dichlorophenyl)methyl]-2-[[4-(2-oxoimidazolidine-4-carbonyl)piperazin-1-yl]methyl]-1,3-thiazole-5-carboxamide?
N-[(2,4-dichlorophenyl)methyl]-2-[[4-(2-oxoimidazolidine-4-carbonyl)piperazin-1-yl]methyl]-1,3-thiazole-5-carboxamide has a molecular weight of 497.41 g/mol, XLogP of 1.71, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dichlorophenyl)methyl]-2-[[4-(2-oxoimidazolidine-4-carbonyl)piperazin-1-yl]methyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 118112610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).