3-methoxy-4-[2-oxo-2-(propan-2-ylamino)ethoxy]-N-(2-pyridin-2-yl-1,3-thiazol-4-yl)benzamide

C21H22N4O4S — CID 75450994

IUPAC3-methoxy-4-[2-oxo-2-(propan-2-ylamino)ethoxy]-N-(2-pyridin-2-yl-1,3-thiazol-4-yl)benzamide
SMILESCOc1cc(C(=O)Nc2csc(-c3ccccn3)n2)ccc1OCC(=O)NC(C)C
InChIInChI=1S/C21H22N4O4S/c1-13(2)23-19(26)11-29-16-8-7-14(10-17(16)28-3)20(27)24-18-12-30-21(25-18)15-6-4-5-9-22-15/h4-10,12-13H,11H2,1-3H3,(H,23,26)(H,24,27)
InChIKeyCWIGUFFZXOCULY-UHFFFAOYSA-N
MW426.50 g/mol
LogP3.37
Rot. Bonds8

About 3-methoxy-4-[2-oxo-2-(propan-2-ylamino)ethoxy]-N-(2-pyridin-2-yl-1,3-thiazol-4-yl)benzamide

3-methoxy-4-[2-oxo-2-(propan-2-ylamino)ethoxy]-N-(2-pyridin-2-yl-1,3-thiazol-4-yl)benzamide (PubChem CID 75450994) has the molecular formula C21H22N4O4S and a molecular weight of 426.50 g/mol. Its IUPAC name is 3-methoxy-4-[2-oxo-2-(propan-2-ylamino)ethoxy]-N-(2-pyridin-2-yl-1,3-thiazol-4-yl)benzamide.

Molecular Properties

Compound Name3-methoxy-4-[2-oxo-2-(propan-2-ylamino)ethoxy]-N-(2-pyridin-2-yl-1,3-thiazol-4-yl)benzamide
PubChem CID75450994
Molecular FormulaC21H22N4O4S
Molecular Weight426.50 g/mol
Exact Mass426.14
IUPAC Name3-methoxy-4-[2-oxo-2-(propan-2-ylamino)ethoxy]-N-(2-pyridin-2-yl-1,3-thiazol-4-yl)benzamide
SMILESCOc1cc(C(=O)Nc2csc(-c3ccccn3)n2)ccc1OCC(=O)NC(C)C
InChIInChI=1S/C21H22N4O4S/c1-13(2)23-19(26)11-29-16-8-7-14(10-17(16)28-3)20(27)24-18-12-30-21(25-18)15-6-4-5-9-22-15/h4-10,12-13H,11H2,1-3H3,(H,23,26)(H,24,27)
InChIKeyCWIGUFFZXOCULY-UHFFFAOYSA-N
XLogP3.37
TPSA102.44 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.50
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 3-methoxy-4-[2-oxo-2-(propan-2-ylamino)ethoxy]-N-(2-pyridin-2-yl-1,3-thiazol-4-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

3-methoxy-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-4-(2-morpholin-4-yl-2-oxoethoxy)benzamide
CID 2469116
4-methoxy-N-[4-(2-pyridyl)thiazol-2-yl]benzamide
CID 2660435
3-methoxy-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-4-(2-morpholin-4-yl-2-oxoethoxy)benzamide
CID 5191473
N-(4-(pyridin-2-yl)thiazol-2-yl)-2,3-dihydrobenzo[b][1,4]dioxine-6-carboxamide
CID 5199136
N-(4-methylthiazol-2-yl)-3-(pyridin-3-yloxy)benzamide
CID 51033561
2-[3-(2-piperazin-1-ylethoxy)phenyl]-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide
CID 60097461
2-[3-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide
CID 60097624
3-benzyloxy-N-[4-(2-pyridyl)thiazol-2-yl]benzamide
CID 26203066
4-benzyloxy-N-[4-(2-pyridyl)thiazol-2-yl]benzamide
CID 41163606
4-(2-fluoroethoxy)-N-methyl-N-[4-[6-(propan-2-ylamino)pyrimidin-4-yl]-1,3-thiazol-2-yl]benzamide
CID 70688666
4-Isopropoxy-N-(4-pyridin-2-yl-thiazol-2-yl)-benzamide
CID 2660552
3,4,5-trimethoxy-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide
CID 4686509

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-4-[2-oxo-2-(propan-2-ylamino)ethoxy]-N-(2-pyridin-2-yl-1,3-thiazol-4-yl)benzamide?
The IUPAC name of 3-methoxy-4-[2-oxo-2-(propan-2-ylamino)ethoxy]-N-(2-pyridin-2-yl-1,3-thiazol-4-yl)benzamide (CID 75450994) is 3-methoxy-4-[2-oxo-2-(propan-2-ylamino)ethoxy]-N-(2-pyridin-2-yl-1,3-thiazol-4-yl)benzamide.
What is the SMILES notation for 3-methoxy-4-[2-oxo-2-(propan-2-ylamino)ethoxy]-N-(2-pyridin-2-yl-1,3-thiazol-4-yl)benzamide?
The canonical SMILES for 3-methoxy-4-[2-oxo-2-(propan-2-ylamino)ethoxy]-N-(2-pyridin-2-yl-1,3-thiazol-4-yl)benzamide is COc1cc(C(=O)Nc2csc(-c3ccccn3)n2)ccc1OCC(=O)NC(C)C.
What is the InChIKey of 3-methoxy-4-[2-oxo-2-(propan-2-ylamino)ethoxy]-N-(2-pyridin-2-yl-1,3-thiazol-4-yl)benzamide?
The InChIKey is CWIGUFFZXOCULY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O4S/c1-13(2)23-19(26)11-29-16-8-7-14(10-17(16)28-3)20(27)24-18-12-30-21(25-18)15-6-4-5-9-22-15/h4-10,12-13H,11H2,1-3H3,(H,23,26)(H,24,27).
What are the key properties of 3-methoxy-4-[2-oxo-2-(propan-2-ylamino)ethoxy]-N-(2-pyridin-2-yl-1,3-thiazol-4-yl)benzamide?
3-methoxy-4-[2-oxo-2-(propan-2-ylamino)ethoxy]-N-(2-pyridin-2-yl-1,3-thiazol-4-yl)benzamide has a molecular weight of 426.50 g/mol, XLogP of 3.37, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-4-[2-oxo-2-(propan-2-ylamino)ethoxy]-N-(2-pyridin-2-yl-1,3-thiazol-4-yl)benzamide is sourced from PubChem (CID 75450994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).