N-[4-(3-chloro-4-methoxyphenyl)-1,3-thiazol-2-yl]-4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide

C20H18ClN3O4S2 — CID 55433052

IUPACN-[4-(3-chloro-4-methoxyphenyl)-1,3-thiazol-2-yl]-4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide
SMILESCOc1ccc(-c2csc(NC(=O)c3ccc(N4CCCS4(=O)=O)cc3)n2)cc1Cl
InChIInChI=1S/C20H18ClN3O4S2/c1-28-18-8-5-14(11-16(18)21)17-12-29-20(22-17)23-19(25)13-3-6-15(7-4-13)24-9-2-10-30(24,26)27/h3-8,11-12H,2,9-10H2,1H3,(H,22,23,25)
InChIKeyKXSIJZGYZAFIDN-UHFFFAOYSA-N
MW463.97 g/mol
LogP4.26
Rot. Bonds5

About N-[4-(3-chloro-4-methoxyphenyl)-1,3-thiazol-2-yl]-4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide

N-[4-(3-chloro-4-methoxyphenyl)-1,3-thiazol-2-yl]-4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide (PubChem CID 55433052) has the molecular formula C20H18ClN3O4S2 and a molecular weight of 463.97 g/mol. Its IUPAC name is N-[4-(3-chloro-4-methoxyphenyl)-1,3-thiazol-2-yl]-4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide.

Molecular Properties

Compound NameN-[4-(3-chloro-4-methoxyphenyl)-1,3-thiazol-2-yl]-4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide
PubChem CID55433052
Molecular FormulaC20H18ClN3O4S2
Molecular Weight463.97 g/mol
Exact Mass463.04
IUPAC NameN-[4-(3-chloro-4-methoxyphenyl)-1,3-thiazol-2-yl]-4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide
SMILESCOc1ccc(-c2csc(NC(=O)c3ccc(N4CCCS4(=O)=O)cc3)n2)cc1Cl
InChIInChI=1S/C20H18ClN3O4S2/c1-28-18-8-5-14(11-16(18)21)17-12-29-20(22-17)23-19(25)13-3-6-15(7-4-13)24-9-2-10-30(24,26)27/h3-8,11-12H,2,9-10H2,1H3,(H,22,23,25)
InChIKeyKXSIJZGYZAFIDN-UHFFFAOYSA-N
XLogP4.26
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.97
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[4-(3-chloro-4-methoxyphenyl)-1,3-thiazol-2-yl]-4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide 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

N-[4-(3-chloro-4-fluorophenyl)-1,3-thiazol-2-yl]-3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide
CID 60581734
3-chloro-N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-4-methoxybenzamide
CID 6491053
N-[4-(3-chloro-4-methoxyphenyl)-1,3-thiazol-2-yl]-3,5-dimethoxybenzamide
CID 7603429
N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide
CID 18229524
N-[4-(3-chloro-4-methoxyphenyl)-1,3-thiazol-2-yl]-2H-benzotriazole-5-carboxamide
CID 41221106
2-chloro-N-[4-(3-chloro-4-methoxyphenyl)-1,3-thiazol-2-yl]pyridine-4-carboxamide
CID 32696321
N-[4-(3-chloro-4-methylphenyl)-1,3-thiazol-2-yl]-4-hydroxy-3-methoxybenzamide
CID 162121520
methyl 6-[[4-(3-chloro-4-methoxyphenyl)-1,3-thiazol-2-yl]carbamoyl]pyridine-3-carboxylate
CID 32520564
4-bromo-N-[4-(3-chloro-4-methoxyphenyl)-1,3-thiazol-2-yl]-3-nitrobenzamide
CID 16797086
N-[4-(3-chloro-4-methoxyphenyl)-1,3-thiazol-2-yl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 33172817
4-(2-amino-2-oxoethoxy)-N-[4-(3-chloro-4-methoxyphenyl)-1,3-thiazol-2-yl]-3,5-dimethoxybenzamide
CID 27446268
4-chloro-N-[4-(3-chloro-4-methoxyphenyl)-1,3-thiazol-2-yl]pyridine-2-carboxamide
CID 28550985

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-chloro-4-methoxyphenyl)-1,3-thiazol-2-yl]-4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide?
The IUPAC name of N-[4-(3-chloro-4-methoxyphenyl)-1,3-thiazol-2-yl]-4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide (CID 55433052) is N-[4-(3-chloro-4-methoxyphenyl)-1,3-thiazol-2-yl]-4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide.
What is the SMILES notation for N-[4-(3-chloro-4-methoxyphenyl)-1,3-thiazol-2-yl]-4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide?
The canonical SMILES for N-[4-(3-chloro-4-methoxyphenyl)-1,3-thiazol-2-yl]-4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide is COc1ccc(-c2csc(NC(=O)c3ccc(N4CCCS4(=O)=O)cc3)n2)cc1Cl.
What is the InChIKey of N-[4-(3-chloro-4-methoxyphenyl)-1,3-thiazol-2-yl]-4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide?
The InChIKey is KXSIJZGYZAFIDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClN3O4S2/c1-28-18-8-5-14(11-16(18)21)17-12-29-20(22-17)23-19(25)13-3-6-15(7-4-13)24-9-2-10-30(24,26)27/h3-8,11-12H,2,9-10H2,1H3,(H,22,23,25).
What are the key properties of N-[4-(3-chloro-4-methoxyphenyl)-1,3-thiazol-2-yl]-4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide?
N-[4-(3-chloro-4-methoxyphenyl)-1,3-thiazol-2-yl]-4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide has a molecular weight of 463.97 g/mol, XLogP of 4.26, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-chloro-4-methoxyphenyl)-1,3-thiazol-2-yl]-4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide is sourced from PubChem (CID 55433052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).