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

C21H21N3O3S2 — CID 18229524

IUPACN-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide
SMILESCc1ccc(-c2csc(NC(=O)c3cccc(N4CCCS4(=O)=O)c3)n2)cc1C
InChIInChI=1S/C21H21N3O3S2/c1-14-7-8-16(11-15(14)2)19-13-28-21(22-19)23-20(25)17-5-3-6-18(12-17)24-9-4-10-29(24,26)27/h3,5-8,11-13H,4,9-10H2,1-2H3,(H,22,23,25)
InChIKeyPWMIMHZLPSJENE-UHFFFAOYSA-N
MW427.55 g/mol
LogP4.22
Rot. Bonds4

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

N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide (PubChem CID 18229524) has the molecular formula C21H21N3O3S2 and a molecular weight of 427.55 g/mol. Its IUPAC name is N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide.

Molecular Properties

Compound NameN-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide
PubChem CID18229524
Molecular FormulaC21H21N3O3S2
Molecular Weight427.55 g/mol
Exact Mass427.10
IUPAC NameN-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide
SMILESCc1ccc(-c2csc(NC(=O)c3cccc(N4CCCS4(=O)=O)c3)n2)cc1C
InChIInChI=1S/C21H21N3O3S2/c1-14-7-8-16(11-15(14)2)19-13-28-21(22-19)23-20(25)17-5-3-6-18(12-17)24-9-4-10-29(24,26)27/h3,5-8,11-13H,4,9-10H2,1-2H3,(H,22,23,25)
InChIKeyPWMIMHZLPSJENE-UHFFFAOYSA-N
XLogP4.22
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.55
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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
N-[4-(3-chloro-4-methoxyphenyl)-1,3-thiazol-2-yl]-4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide
CID 55433052
N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-3-methoxybenzamide
CID 734137
N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-3-methylsulfonylbenzamide
CID 7565614
2-N,6-N-bis[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]pyridine-2,6-dicarboxamide
CID 4653670
3,4-dimethyl-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)benzamide
CID 4277786
N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]thiophene-2-carboxamide
CID 734128
4-(azepan-1-ylsulfonyl)-N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]benzamide
CID 1191189
N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]cyclobutanecarboxamide
CID 1224000
N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-4-nitrobenzamide
CID 1194542
3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[5-[(2-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]benzamide
CID 55895680
N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 7915380

Frequently Asked Questions

What is the IUPAC name of N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide?
The IUPAC name of N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide (CID 18229524) is N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide.
What is the SMILES notation for N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide?
The canonical SMILES for N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide is Cc1ccc(-c2csc(NC(=O)c3cccc(N4CCCS4(=O)=O)c3)n2)cc1C.
What is the InChIKey of N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide?
The InChIKey is PWMIMHZLPSJENE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O3S2/c1-14-7-8-16(11-15(14)2)19-13-28-21(22-19)23-20(25)17-5-3-6-18(12-17)24-9-4-10-29(24,26)27/h3,5-8,11-13H,4,9-10H2,1-2H3,(H,22,23,25).
What are the key properties of N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide?
N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide has a molecular weight of 427.55 g/mol, XLogP of 4.22, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide is sourced from PubChem (CID 18229524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).