2-[4-[[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]methyl]-1,3-thiazol-2-yl]-N-(4-methylphenyl)acetamide

C23H26N4O2S — CID 4827024

IUPAC2-[4-[[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]methyl]-1,3-thiazol-2-yl]-N-(4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)Cc2nc(CN(C)CC(=O)Nc3ccc(C)cc3)cs2)cc1
InChIInChI=1S/C23H26N4O2S/c1-16-4-8-18(9-5-16)24-21(28)12-23-26-20(15-30-23)13-27(3)14-22(29)25-19-10-6-17(2)7-11-19/h4-11,15H,12-14H2,1-3H3,(H,24,28)(H,25,29)
InChIKeyNREPZNIVYQACDY-UHFFFAOYSA-N
MW422.55 g/mol
LogP4.01
Rot. Bonds8

About 2-[4-[[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]methyl]-1,3-thiazol-2-yl]-N-(4-methylphenyl)acetamide

2-[4-[[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]methyl]-1,3-thiazol-2-yl]-N-(4-methylphenyl)acetamide (PubChem CID 4827024) has the molecular formula C23H26N4O2S and a molecular weight of 422.55 g/mol. Its IUPAC name is 2-[4-[[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]methyl]-1,3-thiazol-2-yl]-N-(4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[4-[[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]methyl]-1,3-thiazol-2-yl]-N-(4-methylphenyl)acetamide
PubChem CID4827024
Molecular FormulaC23H26N4O2S
Molecular Weight422.55 g/mol
Exact Mass422.18
IUPAC Name2-[4-[[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]methyl]-1,3-thiazol-2-yl]-N-(4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)Cc2nc(CN(C)CC(=O)Nc3ccc(C)cc3)cs2)cc1
InChIInChI=1S/C23H26N4O2S/c1-16-4-8-18(9-5-16)24-21(28)12-23-26-20(15-30-23)13-27(3)14-22(29)25-19-10-6-17(2)7-11-19/h4-11,15H,12-14H2,1-3H3,(H,24,28)(H,25,29)
InChIKeyNREPZNIVYQACDY-UHFFFAOYSA-N
XLogP4.01
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.55
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]methyl]-1,3-thiazol-2-yl]-N-(4-methylphenyl)acetamide?
The IUPAC name of 2-[4-[[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]methyl]-1,3-thiazol-2-yl]-N-(4-methylphenyl)acetamide (CID 4827024) is 2-[4-[[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]methyl]-1,3-thiazol-2-yl]-N-(4-methylphenyl)acetamide.
What is the SMILES notation for 2-[4-[[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]methyl]-1,3-thiazol-2-yl]-N-(4-methylphenyl)acetamide?
The canonical SMILES for 2-[4-[[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]methyl]-1,3-thiazol-2-yl]-N-(4-methylphenyl)acetamide is Cc1ccc(NC(=O)Cc2nc(CN(C)CC(=O)Nc3ccc(C)cc3)cs2)cc1.
What is the InChIKey of 2-[4-[[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]methyl]-1,3-thiazol-2-yl]-N-(4-methylphenyl)acetamide?
The InChIKey is NREPZNIVYQACDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O2S/c1-16-4-8-18(9-5-16)24-21(28)12-23-26-20(15-30-23)13-27(3)14-22(29)25-19-10-6-17(2)7-11-19/h4-11,15H,12-14H2,1-3H3,(H,24,28)(H,25,29).
What are the key properties of 2-[4-[[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]methyl]-1,3-thiazol-2-yl]-N-(4-methylphenyl)acetamide?
2-[4-[[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]methyl]-1,3-thiazol-2-yl]-N-(4-methylphenyl)acetamide has a molecular weight of 422.55 g/mol, XLogP of 4.01, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]methyl]-1,3-thiazol-2-yl]-N-(4-methylphenyl)acetamide is sourced from PubChem (CID 4827024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).