N-(4-acetamidophenyl)-2-[1,3-benzothiazol-2-yl(methyl)amino]acetamide

C18H18N4O2S — CID 90605410

IUPACN-(4-acetamidophenyl)-2-[1,3-benzothiazol-2-yl(methyl)amino]acetamide
SMILESCC(=O)Nc1ccc(NC(=O)CN(C)c2nc3ccccc3s2)cc1
InChIInChI=1S/C18H18N4O2S/c1-12(23)19-13-7-9-14(10-8-13)20-17(24)11-22(2)18-21-15-5-3-4-6-16(15)25-18/h3-10H,11H2,1-2H3,(H,19,23)(H,20,24)
InChIKeyNAVCGQQXLRMRBN-UHFFFAOYSA-N
MW354.44 g/mol
LogP3.33
Rot. Bonds5

About N-(4-acetamidophenyl)-2-[1,3-benzothiazol-2-yl(methyl)amino]acetamide

N-(4-acetamidophenyl)-2-[1,3-benzothiazol-2-yl(methyl)amino]acetamide (PubChem CID 90605410) has the molecular formula C18H18N4O2S and a molecular weight of 354.44 g/mol. Its IUPAC name is N-(4-acetamidophenyl)-2-[1,3-benzothiazol-2-yl(methyl)amino]acetamide.

Molecular Properties

Compound NameN-(4-acetamidophenyl)-2-[1,3-benzothiazol-2-yl(methyl)amino]acetamide
PubChem CID90605410
Molecular FormulaC18H18N4O2S
Molecular Weight354.44 g/mol
Exact Mass354.12
IUPAC NameN-(4-acetamidophenyl)-2-[1,3-benzothiazol-2-yl(methyl)amino]acetamide
SMILESCC(=O)Nc1ccc(NC(=O)CN(C)c2nc3ccccc3s2)cc1
InChIInChI=1S/C18H18N4O2S/c1-12(23)19-13-7-9-14(10-8-13)20-17(24)11-22(2)18-21-15-5-3-4-6-16(15)25-18/h3-10H,11H2,1-2H3,(H,19,23)(H,20,24)
InChIKeyNAVCGQQXLRMRBN-UHFFFAOYSA-N
XLogP3.33
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.44
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-(4-acetamidophenyl)-2-[1,3-benzothiazol-2-yl(methyl)amino]acetamide 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

2-[1,3-benzothiazol-2-yl(methyl)amino]-N-(4-methylsulfonylphenyl)acetamide
CID 71790247
N-(1,3-benzodioxol-5-yl)-2-[1,3-benzothiazol-2-yl(methyl)amino]acetamide
CID 90605436
N-(4-acetamidophenyl)-2-(1,3-benzothiazol-2-ylsulfanyl)acetamide
CID 1348443
2-[1,3-benzothiazol-2-yl(methyl)amino]-N-cyclohexylacetamide
CID 90605360
2-[2-[[2-[1,3-benzothiazol-2-yl(methyl)amino]acetyl]amino]-1,3-thiazol-4-yl]acetamide
CID 90605494
2-[1,3-benzothiazol-2-yl(methyl)amino]-N-[4-(furan-2-yl)-1,3-thiazol-2-yl]acetamide
CID 56765746
2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-N-(4-phenylphenyl)acetamide
CID 8802128
N-(3-acetamidophenyl)-2-[1-(1,3-benzothiazol-2-yl)ethyl-methylamino]acetamide
CID 17432999
2-[1,3-benzothiazol-2-yl(methyl)amino]-N-methoxy-N-methylacetamide
CID 90605517
2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-N-(4-ethylphenyl)acetamide
CID 8801536
2-[1,3-benzothiazol-2-yl(methyl)amino]-N,N-dipropylacetamide
CID 90605326
N-(4-acetamidophenyl)-2-[methyl(quinazolin-4-yl)amino]acetamide
CID 110437368

Frequently Asked Questions

What is the IUPAC name of N-(4-acetamidophenyl)-2-[1,3-benzothiazol-2-yl(methyl)amino]acetamide?
The IUPAC name of N-(4-acetamidophenyl)-2-[1,3-benzothiazol-2-yl(methyl)amino]acetamide (CID 90605410) is N-(4-acetamidophenyl)-2-[1,3-benzothiazol-2-yl(methyl)amino]acetamide.
What is the SMILES notation for N-(4-acetamidophenyl)-2-[1,3-benzothiazol-2-yl(methyl)amino]acetamide?
The canonical SMILES for N-(4-acetamidophenyl)-2-[1,3-benzothiazol-2-yl(methyl)amino]acetamide is CC(=O)Nc1ccc(NC(=O)CN(C)c2nc3ccccc3s2)cc1.
What is the InChIKey of N-(4-acetamidophenyl)-2-[1,3-benzothiazol-2-yl(methyl)amino]acetamide?
The InChIKey is NAVCGQQXLRMRBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O2S/c1-12(23)19-13-7-9-14(10-8-13)20-17(24)11-22(2)18-21-15-5-3-4-6-16(15)25-18/h3-10H,11H2,1-2H3,(H,19,23)(H,20,24).
What are the key properties of N-(4-acetamidophenyl)-2-[1,3-benzothiazol-2-yl(methyl)amino]acetamide?
N-(4-acetamidophenyl)-2-[1,3-benzothiazol-2-yl(methyl)amino]acetamide has a molecular weight of 354.44 g/mol, XLogP of 3.33, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamidophenyl)-2-[1,3-benzothiazol-2-yl(methyl)amino]acetamide is sourced from PubChem (CID 90605410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).