3-N-(3,4-dimethylphenyl)-2-(4-methoxyphenyl)-4-N-propan-2-yl-1,3-thiazolidine-3,4-dicarboxamide

C23H29N3O3S — CID 6623830

IUPAC3-N-(3,4-dimethylphenyl)-2-(4-methoxyphenyl)-4-N-propan-2-yl-1,3-thiazolidine-3,4-dicarboxamide
SMILESCOc1ccc(C2SCC(C(=O)NC(C)C)N2C(=O)Nc2ccc(C)c(C)c2)cc1
InChIInChI=1S/C23H29N3O3S/c1-14(2)24-21(27)20-13-30-22(17-7-10-19(29-5)11-8-17)26(20)23(28)25-18-9-6-15(3)16(4)12-18/h6-12,14,20,22H,13H2,1-5H3,(H,24,27)(H,25,28)
InChIKeyWQZSCJSQWJXTTN-UHFFFAOYSA-N
MW427.57 g/mol
LogP4.48
Rot. Bonds5

About 3-N-(3,4-dimethylphenyl)-2-(4-methoxyphenyl)-4-N-propan-2-yl-1,3-thiazolidine-3,4-dicarboxamide

3-N-(3,4-dimethylphenyl)-2-(4-methoxyphenyl)-4-N-propan-2-yl-1,3-thiazolidine-3,4-dicarboxamide (PubChem CID 6623830) has the molecular formula C23H29N3O3S and a molecular weight of 427.57 g/mol. Its IUPAC name is 3-N-(3,4-dimethylphenyl)-2-(4-methoxyphenyl)-4-N-propan-2-yl-1,3-thiazolidine-3,4-dicarboxamide.

Molecular Properties

Compound Name3-N-(3,4-dimethylphenyl)-2-(4-methoxyphenyl)-4-N-propan-2-yl-1,3-thiazolidine-3,4-dicarboxamide
PubChem CID6623830
Molecular FormulaC23H29N3O3S
Molecular Weight427.57 g/mol
Exact Mass427.19
IUPAC Name3-N-(3,4-dimethylphenyl)-2-(4-methoxyphenyl)-4-N-propan-2-yl-1,3-thiazolidine-3,4-dicarboxamide
SMILESCOc1ccc(C2SCC(C(=O)NC(C)C)N2C(=O)Nc2ccc(C)c(C)c2)cc1
InChIInChI=1S/C23H29N3O3S/c1-14(2)24-21(27)20-13-30-22(17-7-10-19(29-5)11-8-17)26(20)23(28)25-18-9-6-15(3)16(4)12-18/h6-12,14,20,22H,13H2,1-5H3,(H,24,27)(H,25,28)
InChIKeyWQZSCJSQWJXTTN-UHFFFAOYSA-N
XLogP4.48
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.57
LogP ≤ 54.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-N-(3,4-dimethylphenyl)-2-(4-methoxyphenyl)-4-N-propan-2-yl-1,3-thiazolidine-3,4-dicarboxamide?
The IUPAC name of 3-N-(3,4-dimethylphenyl)-2-(4-methoxyphenyl)-4-N-propan-2-yl-1,3-thiazolidine-3,4-dicarboxamide (CID 6623830) is 3-N-(3,4-dimethylphenyl)-2-(4-methoxyphenyl)-4-N-propan-2-yl-1,3-thiazolidine-3,4-dicarboxamide.
What is the SMILES notation for 3-N-(3,4-dimethylphenyl)-2-(4-methoxyphenyl)-4-N-propan-2-yl-1,3-thiazolidine-3,4-dicarboxamide?
The canonical SMILES for 3-N-(3,4-dimethylphenyl)-2-(4-methoxyphenyl)-4-N-propan-2-yl-1,3-thiazolidine-3,4-dicarboxamide is COc1ccc(C2SCC(C(=O)NC(C)C)N2C(=O)Nc2ccc(C)c(C)c2)cc1.
What is the InChIKey of 3-N-(3,4-dimethylphenyl)-2-(4-methoxyphenyl)-4-N-propan-2-yl-1,3-thiazolidine-3,4-dicarboxamide?
The InChIKey is WQZSCJSQWJXTTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O3S/c1-14(2)24-21(27)20-13-30-22(17-7-10-19(29-5)11-8-17)26(20)23(28)25-18-9-6-15(3)16(4)12-18/h6-12,14,20,22H,13H2,1-5H3,(H,24,27)(H,25,28).
What are the key properties of 3-N-(3,4-dimethylphenyl)-2-(4-methoxyphenyl)-4-N-propan-2-yl-1,3-thiazolidine-3,4-dicarboxamide?
3-N-(3,4-dimethylphenyl)-2-(4-methoxyphenyl)-4-N-propan-2-yl-1,3-thiazolidine-3,4-dicarboxamide has a molecular weight of 427.57 g/mol, XLogP of 4.48, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(3,4-dimethylphenyl)-2-(4-methoxyphenyl)-4-N-propan-2-yl-1,3-thiazolidine-3,4-dicarboxamide is sourced from PubChem (CID 6623830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).