2-[[2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]acetyl]amino]benzamide

C18H18N4O2S — CID 18136049

IUPAC2-[[2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]acetyl]amino]benzamide
SMILESCN(CC(=O)Nc1ccccc1C(N)=O)Cc1nc2ccccc2s1
InChIInChI=1S/C18H18N4O2S/c1-22(11-17-21-14-8-4-5-9-15(14)25-17)10-16(23)20-13-7-3-2-6-12(13)18(19)24/h2-9H,10-11H2,1H3,(H2,19,24)(H,20,23)
InChIKeyVQGUALPJGFZTGF-UHFFFAOYSA-N
MW354.44 g/mol
LogP2.47
Rot. Bonds6

About 2-[[2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]acetyl]amino]benzamide

2-[[2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]acetyl]amino]benzamide (PubChem CID 18136049) has the molecular formula C18H18N4O2S and a molecular weight of 354.44 g/mol. Its IUPAC name is 2-[[2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]acetyl]amino]benzamide.

Molecular Properties

Compound Name2-[[2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]acetyl]amino]benzamide
PubChem CID18136049
Molecular FormulaC18H18N4O2S
Molecular Weight354.44 g/mol
Exact Mass354.12
IUPAC Name2-[[2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]acetyl]amino]benzamide
SMILESCN(CC(=O)Nc1ccccc1C(N)=O)Cc1nc2ccccc2s1
InChIInChI=1S/C18H18N4O2S/c1-22(11-17-21-14-8-4-5-9-15(14)25-17)10-16(23)20-13-7-3-2-6-12(13)18(19)24/h2-9H,10-11H2,1H3,(H2,19,24)(H,20,23)
InChIKeyVQGUALPJGFZTGF-UHFFFAOYSA-N
XLogP2.47
TPSA88.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.44
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[[2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]acetyl]amino]benzamide
CID 8801763
2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-N-(2-fluoro-4-methylphenyl)acetamide
CID 8802197
2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-N-(4-phenylphenyl)acetamide
CID 8802128
2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-N-(4-bromo-2-fluorophenyl)acetamide
CID 8801647
2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-N-(4-ethylphenyl)acetamide
CID 8801536
2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-N-(2-methoxy-5-methylphenyl)acetamide
CID 8801587
2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-N-(2,4-dimethoxyphenyl)acetamide
CID 26645014
4-[[2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]acetyl]amino]-N,N-dimethylbenzamide
CID 8802932
methyl N-[2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]acetyl]carbamate
CID 8803258
2-[[2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-2-oxoethyl]-methylamino]-N-(2-chlorophenyl)acetamide
CID 8843695
2-[[2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]acetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide
CID 8802058
2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-N-(3-bromophenyl)acetamide
CID 8801611

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]acetyl]amino]benzamide?
The IUPAC name of 2-[[2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]acetyl]amino]benzamide (CID 18136049) is 2-[[2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]acetyl]amino]benzamide.
What is the SMILES notation for 2-[[2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]acetyl]amino]benzamide?
The canonical SMILES for 2-[[2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]acetyl]amino]benzamide is CN(CC(=O)Nc1ccccc1C(N)=O)Cc1nc2ccccc2s1.
What is the InChIKey of 2-[[2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]acetyl]amino]benzamide?
The InChIKey is VQGUALPJGFZTGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O2S/c1-22(11-17-21-14-8-4-5-9-15(14)25-17)10-16(23)20-13-7-3-2-6-12(13)18(19)24/h2-9H,10-11H2,1H3,(H2,19,24)(H,20,23).
What are the key properties of 2-[[2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]acetyl]amino]benzamide?
2-[[2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]acetyl]amino]benzamide has a molecular weight of 354.44 g/mol, XLogP of 2.47, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]acetyl]amino]benzamide is sourced from PubChem (CID 18136049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).