2-(2,4-dimethylphenyl)-N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-4-methyl-1,3-thiazole-5-carboxamide

C18H23N3O3S2 — CID 49065917

IUPAC2-(2,4-dimethylphenyl)-N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-4-methyl-1,3-thiazole-5-carboxamide
SMILESCc1ccc(-c2nc(C)c(C(=O)NCCN3CCCS3(=O)=O)s2)c(C)c1
InChIInChI=1S/C18H23N3O3S2/c1-12-5-6-15(13(2)11-12)18-20-14(3)16(25-18)17(22)19-7-9-21-8-4-10-26(21,23)24/h5-6,11H,4,7-10H2,1-3H3,(H,19,22)
InChIKeyQYBNHBOHNNOLEP-UHFFFAOYSA-N
MW393.53 g/mol
LogP2.50
Rot. Bonds5

About 2-(2,4-dimethylphenyl)-N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-4-methyl-1,3-thiazole-5-carboxamide

2-(2,4-dimethylphenyl)-N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-4-methyl-1,3-thiazole-5-carboxamide (PubChem CID 49065917) has the molecular formula C18H23N3O3S2 and a molecular weight of 393.53 g/mol. Its IUPAC name is 2-(2,4-dimethylphenyl)-N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-4-methyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-(2,4-dimethylphenyl)-N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-4-methyl-1,3-thiazole-5-carboxamide
PubChem CID49065917
Molecular FormulaC18H23N3O3S2
Molecular Weight393.53 g/mol
Exact Mass393.12
IUPAC Name2-(2,4-dimethylphenyl)-N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-4-methyl-1,3-thiazole-5-carboxamide
SMILESCc1ccc(-c2nc(C)c(C(=O)NCCN3CCCS3(=O)=O)s2)c(C)c1
InChIInChI=1S/C18H23N3O3S2/c1-12-5-6-15(13(2)11-12)18-20-14(3)16(25-18)17(22)19-7-9-21-8-4-10-26(21,23)24/h5-6,11H,4,7-10H2,1-3H3,(H,19,22)
InChIKeyQYBNHBOHNNOLEP-UHFFFAOYSA-N
XLogP2.50
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.53
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethylphenyl)-N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-4-methyl-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-(2,4-dimethylphenyl)-N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-4-methyl-1,3-thiazole-5-carboxamide (CID 49065917) is 2-(2,4-dimethylphenyl)-N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-4-methyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-(2,4-dimethylphenyl)-N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-4-methyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-(2,4-dimethylphenyl)-N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-4-methyl-1,3-thiazole-5-carboxamide is Cc1ccc(-c2nc(C)c(C(=O)NCCN3CCCS3(=O)=O)s2)c(C)c1.
What is the InChIKey of 2-(2,4-dimethylphenyl)-N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-4-methyl-1,3-thiazole-5-carboxamide?
The InChIKey is QYBNHBOHNNOLEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3S2/c1-12-5-6-15(13(2)11-12)18-20-14(3)16(25-18)17(22)19-7-9-21-8-4-10-26(21,23)24/h5-6,11H,4,7-10H2,1-3H3,(H,19,22).
What are the key properties of 2-(2,4-dimethylphenyl)-N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-4-methyl-1,3-thiazole-5-carboxamide?
2-(2,4-dimethylphenyl)-N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-4-methyl-1,3-thiazole-5-carboxamide has a molecular weight of 393.53 g/mol, XLogP of 2.50, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethylphenyl)-N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-4-methyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 49065917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).