2-[2-[(2-methoxyphenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-[(4-methoxyphenyl)methyl]acetamide

C21H22N4O4S — CID 16832534

IUPAC2-[2-[(2-methoxyphenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-[(4-methoxyphenyl)methyl]acetamide
SMILESCOc1ccc(CNC(=O)Cc2csc(NC(=O)Nc3ccccc3OC)n2)cc1
InChIInChI=1S/C21H22N4O4S/c1-28-16-9-7-14(8-10-16)12-22-19(26)11-15-13-30-21(23-15)25-20(27)24-17-5-3-4-6-18(17)29-2/h3-10,13H,11-12H2,1-2H3,(H,22,26)(H2,23,24,25,27)
InChIKeyMZMJOYNDLJBAJA-UHFFFAOYSA-N
MW426.50 g/mol
LogP3.66
Rot. Bonds8

About 2-[2-[(2-methoxyphenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-[(4-methoxyphenyl)methyl]acetamide

2-[2-[(2-methoxyphenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-[(4-methoxyphenyl)methyl]acetamide (PubChem CID 16832534) has the molecular formula C21H22N4O4S and a molecular weight of 426.50 g/mol. Its IUPAC name is 2-[2-[(2-methoxyphenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-[(4-methoxyphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[2-[(2-methoxyphenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-[(4-methoxyphenyl)methyl]acetamide
PubChem CID16832534
Molecular FormulaC21H22N4O4S
Molecular Weight426.50 g/mol
Exact Mass426.14
IUPAC Name2-[2-[(2-methoxyphenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-[(4-methoxyphenyl)methyl]acetamide
SMILESCOc1ccc(CNC(=O)Cc2csc(NC(=O)Nc3ccccc3OC)n2)cc1
InChIInChI=1S/C21H22N4O4S/c1-28-16-9-7-14(8-10-16)12-22-19(26)11-15-13-30-21(23-15)25-20(27)24-17-5-3-4-6-18(17)29-2/h3-10,13H,11-12H2,1-2H3,(H,22,26)(H2,23,24,25,27)
InChIKeyMZMJOYNDLJBAJA-UHFFFAOYSA-N
XLogP3.66
TPSA101.58 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.50
LogP ≤ 53.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 2-[2-[(2-methoxyphenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-[(4-methoxyphenyl)methyl]acetamide with MolForge

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Related Compounds

N-[4-(3-amino-4-methoxyphenyl)-1,3-thiazol-2-yl]-N'-hydroxyoctanediamide
CID 53322484
1-(4-(4-Methoxyphenyl)thiazol-2-yl)-3-phenylurea
CID 930415
N-{2-[(2-methoxyphenyl)amino]-4'-methyl-4,5'-bi-1,3-thiazol-2'-yl}benzamide hydrobromide
CID 1117191
2-(4-methoxyphenyl)-N-(4-methyl-1,3-thiazol-2-yl)-N-phenylacetamide
CID 2467547
2-(2-methoxyanilino)-4-methyl-N-phenyl-1,3-thiazole-5-carboxamide
CID 2701314
4-[4-(3-Methoxy-phenyl)-thiazol-2-yl]-piperazine-1-carboxylic acid (2-methoxy-phenyl)-amide
CID 651034
N-{4-[(2-Methoxy-phenylcarbamoyl)-methyl]-thiazol-2-yl}-propionamide
CID 864703
N-(4-methoxybenzyl)-1-({2-[(4-methylphenyl)amino]-1,3-thiazol-4-yl}carbonyl)piperidine-4-carboxamide
CID 1096818
N-(2-Methoxy-phenyl)-2-[2-(3-phenyl-thioureido)-thiazol-4-yl]-acetamide
CID 1169035
6-[2-(phenethylamino)thiazol-4-yl]-4H-1,4-benzoxazin-3-one
CID 2468356
N-(2-Methoxy-phenyl)-2-[2-(3-p-tolyl-thioureido)-thiazol-4-yl]-acetamide
CID 3168636
N-(2-methoxyphenyl)-2-[2-[(4-methoxyphenyl)carbamothioylamino]-1,3-thiazol-4-yl]acetamide
CID 3168637

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(2-methoxyphenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-[(4-methoxyphenyl)methyl]acetamide?
The IUPAC name of 2-[2-[(2-methoxyphenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-[(4-methoxyphenyl)methyl]acetamide (CID 16832534) is 2-[2-[(2-methoxyphenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-[(4-methoxyphenyl)methyl]acetamide.
What is the SMILES notation for 2-[2-[(2-methoxyphenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-[(4-methoxyphenyl)methyl]acetamide?
The canonical SMILES for 2-[2-[(2-methoxyphenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-[(4-methoxyphenyl)methyl]acetamide is COc1ccc(CNC(=O)Cc2csc(NC(=O)Nc3ccccc3OC)n2)cc1.
What is the InChIKey of 2-[2-[(2-methoxyphenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-[(4-methoxyphenyl)methyl]acetamide?
The InChIKey is MZMJOYNDLJBAJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O4S/c1-28-16-9-7-14(8-10-16)12-22-19(26)11-15-13-30-21(23-15)25-20(27)24-17-5-3-4-6-18(17)29-2/h3-10,13H,11-12H2,1-2H3,(H,22,26)(H2,23,24,25,27).
What are the key properties of 2-[2-[(2-methoxyphenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-[(4-methoxyphenyl)methyl]acetamide?
2-[2-[(2-methoxyphenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-[(4-methoxyphenyl)methyl]acetamide has a molecular weight of 426.50 g/mol, XLogP of 3.66, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(2-methoxyphenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-[(4-methoxyphenyl)methyl]acetamide is sourced from PubChem (CID 16832534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).