2-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[4-methoxy-3-[(2-methoxyacetyl)amino]phenyl]acetamide

C17H21N3O4S — CID 131896511

IUPAC2-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[4-methoxy-3-[(2-methoxyacetyl)amino]phenyl]acetamide
SMILESCOCC(=O)Nc1cc(NC(=O)Cc2sc(C)nc2C)ccc1OC
InChIInChI=1S/C17H21N3O4S/c1-10-15(25-11(2)18-10)8-16(21)19-12-5-6-14(24-4)13(7-12)20-17(22)9-23-3/h5-7H,8-9H2,1-4H3,(H,19,21)(H,20,22)
InChIKeyXZAXAQWIRVVMGD-UHFFFAOYSA-N
MW363.44 g/mol
LogP2.53
Rot. Bonds7

About 2-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[4-methoxy-3-[(2-methoxyacetyl)amino]phenyl]acetamide

2-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[4-methoxy-3-[(2-methoxyacetyl)amino]phenyl]acetamide (PubChem CID 131896511) has the molecular formula C17H21N3O4S and a molecular weight of 363.44 g/mol. Its IUPAC name is 2-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[4-methoxy-3-[(2-methoxyacetyl)amino]phenyl]acetamide.

Molecular Properties

Compound Name2-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[4-methoxy-3-[(2-methoxyacetyl)amino]phenyl]acetamide
PubChem CID131896511
Molecular FormulaC17H21N3O4S
Molecular Weight363.44 g/mol
Exact Mass363.13
IUPAC Name2-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[4-methoxy-3-[(2-methoxyacetyl)amino]phenyl]acetamide
SMILESCOCC(=O)Nc1cc(NC(=O)Cc2sc(C)nc2C)ccc1OC
InChIInChI=1S/C17H21N3O4S/c1-10-15(25-11(2)18-10)8-16(21)19-12-5-6-14(24-4)13(7-12)20-17(22)9-23-3/h5-7H,8-9H2,1-4H3,(H,19,21)(H,20,22)
InChIKeyXZAXAQWIRVVMGD-UHFFFAOYSA-N
XLogP2.53
TPSA89.55 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.44
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[4-methoxy-3-[(2-methoxyacetyl)amino]phenyl]acetamide with MolForge

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Related Compounds

2-methoxy-N-(2-methyl-1,3-benzothiazol-6-yl)acetamide
CID 31529238
N-[2-[4-methoxy-3-[(2-methoxyacetyl)amino]anilino]-2-oxoethyl]benzamide
CID 131925236
1-(3,4-dimethoxyphenyl)-3-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]urea
CID 121122907
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2,4-dimethyl-1,3-thiazol-5-yl)acetamide
CID 45492808
N-(5-chloro-2-methoxyphenyl)-2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]acetamide
CID 26094727
N-(3,4-dimethoxyphenyl)-2-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]acetamide
CID 110329364
N-[4-methoxy-3-[(2-methoxyacetyl)amino]phenyl]pyridine-2-carboxamide
CID 131938039
N-[4-(diethylamino)phenyl]-2-(2,4-dimethyl-1,3-thiazol-5-yl)acetamide
CID 110328812
1-(2,5-dimethoxyphenyl)-3-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]urea
CID 121122910
N-[4-methoxy-3-[(2-methoxyacetyl)amino]phenyl]-1-methyl-3-propan-2-ylpyrazole-5-carboxamide
CID 131902769
N-(5-acetamido-2-methoxyphenyl)-2-(4-methylphenyl)acetamide
CID 17432370
N-(5-bromo-2-methoxyphenyl)-2-methoxyacetamide
CID 61072543

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[4-methoxy-3-[(2-methoxyacetyl)amino]phenyl]acetamide?
The IUPAC name of 2-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[4-methoxy-3-[(2-methoxyacetyl)amino]phenyl]acetamide (CID 131896511) is 2-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[4-methoxy-3-[(2-methoxyacetyl)amino]phenyl]acetamide.
What is the SMILES notation for 2-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[4-methoxy-3-[(2-methoxyacetyl)amino]phenyl]acetamide?
The canonical SMILES for 2-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[4-methoxy-3-[(2-methoxyacetyl)amino]phenyl]acetamide is COCC(=O)Nc1cc(NC(=O)Cc2sc(C)nc2C)ccc1OC.
What is the InChIKey of 2-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[4-methoxy-3-[(2-methoxyacetyl)amino]phenyl]acetamide?
The InChIKey is XZAXAQWIRVVMGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O4S/c1-10-15(25-11(2)18-10)8-16(21)19-12-5-6-14(24-4)13(7-12)20-17(22)9-23-3/h5-7H,8-9H2,1-4H3,(H,19,21)(H,20,22).
What are the key properties of 2-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[4-methoxy-3-[(2-methoxyacetyl)amino]phenyl]acetamide?
2-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[4-methoxy-3-[(2-methoxyacetyl)amino]phenyl]acetamide has a molecular weight of 363.44 g/mol, XLogP of 2.53, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[4-methoxy-3-[(2-methoxyacetyl)amino]phenyl]acetamide is sourced from PubChem (CID 131896511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).