N-methyl-4-[[2-(2-phenyl-1,3-thiazol-4-yl)acetyl]amino]benzamide

C19H17N3O2S — CID 9164577

IUPACN-methyl-4-[[2-(2-phenyl-1,3-thiazol-4-yl)acetyl]amino]benzamide
SMILESCNC(=O)c1ccc(NC(=O)Cc2csc(-c3ccccc3)n2)cc1
InChIInChI=1S/C19H17N3O2S/c1-20-18(24)13-7-9-15(10-8-13)21-17(23)11-16-12-25-19(22-16)14-5-3-2-4-6-14/h2-10,12H,11H2,1H3,(H,20,24)(H,21,23)
InChIKeyKHICRDCCKVEWFZ-UHFFFAOYSA-N
MW351.43 g/mol
LogP3.35
Rot. Bonds5

About N-methyl-4-[[2-(2-phenyl-1,3-thiazol-4-yl)acetyl]amino]benzamide

N-methyl-4-[[2-(2-phenyl-1,3-thiazol-4-yl)acetyl]amino]benzamide (PubChem CID 9164577) has the molecular formula C19H17N3O2S and a molecular weight of 351.43 g/mol. Its IUPAC name is N-methyl-4-[[2-(2-phenyl-1,3-thiazol-4-yl)acetyl]amino]benzamide.

Molecular Properties

Compound NameN-methyl-4-[[2-(2-phenyl-1,3-thiazol-4-yl)acetyl]amino]benzamide
PubChem CID9164577
Molecular FormulaC19H17N3O2S
Molecular Weight351.43 g/mol
Exact Mass351.10
IUPAC NameN-methyl-4-[[2-(2-phenyl-1,3-thiazol-4-yl)acetyl]amino]benzamide
SMILESCNC(=O)c1ccc(NC(=O)Cc2csc(-c3ccccc3)n2)cc1
InChIInChI=1S/C19H17N3O2S/c1-20-18(24)13-7-9-15(10-8-13)21-17(23)11-16-12-25-19(22-16)14-5-3-2-4-6-14/h2-10,12H,11H2,1H3,(H,20,24)(H,21,23)
InChIKeyKHICRDCCKVEWFZ-UHFFFAOYSA-N
XLogP3.35
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.43
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-[[2-(2-phenyl-1,3-thiazol-4-yl)acetyl]amino]benzoate
CID 4794716
N-[(4-acetamidophenyl)methyl]-2-(2-phenyl-1,3-thiazol-4-yl)acetamide
CID 18153830
N'-[2-(2-phenyl-1,3-thiazol-4-yl)acetyl]benzohydrazide
CID 4800325
2-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]-N-(4-phenylphenyl)acetamide
CID 16560777
N-(3-hydroxyphenyl)-2-(2-phenyl-1,3-thiazol-4-yl)acetamide
CID 78783427
[2-[4-(methylcarbamoyl)anilino]-2-oxoethyl] 2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetate
CID 9130860
N-methyl-4-(4-phenyl-1,3-thiazol-2-yl)benzamide
CID 1483692
N-(4-methyl-3-sulfamoylphenyl)-2-(2-phenyl-1,3-thiazol-4-yl)acetamide
CID 18159552
N-tert-butyl-4-[[2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]acetyl]amino]benzamide
CID 46539791
N-methyl-4-[4-[[2-(2-phenyl-1,3-thiazol-4-yl)acetyl]amino]pyrazol-1-yl]butanamide
CID 155916901
4-[[2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]acetyl]amino]-N-(2-methoxyphenyl)benzamide
CID 46586199
2-(2-phenyl-1,3-thiazol-4-yl)acetohydrazide
CID 2740630

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[[2-(2-phenyl-1,3-thiazol-4-yl)acetyl]amino]benzamide?
The IUPAC name of N-methyl-4-[[2-(2-phenyl-1,3-thiazol-4-yl)acetyl]amino]benzamide (CID 9164577) is N-methyl-4-[[2-(2-phenyl-1,3-thiazol-4-yl)acetyl]amino]benzamide.
What is the SMILES notation for N-methyl-4-[[2-(2-phenyl-1,3-thiazol-4-yl)acetyl]amino]benzamide?
The canonical SMILES for N-methyl-4-[[2-(2-phenyl-1,3-thiazol-4-yl)acetyl]amino]benzamide is CNC(=O)c1ccc(NC(=O)Cc2csc(-c3ccccc3)n2)cc1.
What is the InChIKey of N-methyl-4-[[2-(2-phenyl-1,3-thiazol-4-yl)acetyl]amino]benzamide?
The InChIKey is KHICRDCCKVEWFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O2S/c1-20-18(24)13-7-9-15(10-8-13)21-17(23)11-16-12-25-19(22-16)14-5-3-2-4-6-14/h2-10,12H,11H2,1H3,(H,20,24)(H,21,23).
What are the key properties of N-methyl-4-[[2-(2-phenyl-1,3-thiazol-4-yl)acetyl]amino]benzamide?
N-methyl-4-[[2-(2-phenyl-1,3-thiazol-4-yl)acetyl]amino]benzamide has a molecular weight of 351.43 g/mol, XLogP of 3.35, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[[2-(2-phenyl-1,3-thiazol-4-yl)acetyl]amino]benzamide is sourced from PubChem (CID 9164577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).