4-[[2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]acetyl]amino]benzamide

C18H18N4O2S — CID 8801763

IUPAC4-[[2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]acetyl]amino]benzamide
SMILESCN(CC(=O)Nc1ccc(C(N)=O)cc1)Cc1nc2ccccc2s1
InChIInChI=1S/C18H18N4O2S/c1-22(11-17-21-14-4-2-3-5-15(14)25-17)10-16(23)20-13-8-6-12(7-9-13)18(19)24/h2-9H,10-11H2,1H3,(H2,19,24)(H,20,23)
InChIKeyBDSVTEOTKRWJLM-UHFFFAOYSA-N
MW354.44 g/mol
LogP2.47
Rot. Bonds6

About 4-[[2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]acetyl]amino]benzamide

4-[[2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]acetyl]amino]benzamide (PubChem CID 8801763) has the molecular formula C18H18N4O2S and a molecular weight of 354.44 g/mol. Its IUPAC name is 4-[[2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]acetyl]amino]benzamide.

Molecular Properties

Compound Name4-[[2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]acetyl]amino]benzamide
PubChem CID8801763
Molecular FormulaC18H18N4O2S
Molecular Weight354.44 g/mol
Exact Mass354.12
IUPAC Name4-[[2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]acetyl]amino]benzamide
SMILESCN(CC(=O)Nc1ccc(C(N)=O)cc1)Cc1nc2ccccc2s1
InChIInChI=1S/C18H18N4O2S/c1-22(11-17-21-14-4-2-3-5-15(14)25-17)10-16(23)20-13-8-6-12(7-9-13)18(19)24/h2-9H,10-11H2,1H3,(H2,19,24)(H,20,23)
InChIKeyBDSVTEOTKRWJLM-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]-N,N-dimethylbenzamide
CID 8802932
2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-N-(4-phenylphenyl)acetamide
CID 8802128
2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-N-(4-ethylphenyl)acetamide
CID 8801536
2-[[2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]acetyl]amino]benzamide
CID 18136049
2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-N-(3-bromophenyl)acetamide
CID 8801611
4-[[2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]acetyl]amino]-N-(2-methoxyphenyl)benzamide
CID 17418297
2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 9366725
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-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide
CID 26645449
methyl N-[2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]acetyl]carbamate
CID 8803258
2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-N-prop-2-ynylacetamide
CID 26645461
methyl 4-[[[2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]acetyl]amino]methyl]benzoate
CID 8801767

Frequently Asked Questions

What is the IUPAC name of 4-[[2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]acetyl]amino]benzamide?
The IUPAC name of 4-[[2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]acetyl]amino]benzamide (CID 8801763) is 4-[[2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]acetyl]amino]benzamide.
What is the SMILES notation for 4-[[2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]acetyl]amino]benzamide?
The canonical SMILES for 4-[[2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]acetyl]amino]benzamide is CN(CC(=O)Nc1ccc(C(N)=O)cc1)Cc1nc2ccccc2s1.
What is the InChIKey of 4-[[2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]acetyl]amino]benzamide?
The InChIKey is BDSVTEOTKRWJLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O2S/c1-22(11-17-21-14-4-2-3-5-15(14)25-17)10-16(23)20-13-8-6-12(7-9-13)18(19)24/h2-9H,10-11H2,1H3,(H2,19,24)(H,20,23).
What are the key properties of 4-[[2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]acetyl]amino]benzamide?
4-[[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 4-[[2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]acetyl]amino]benzamide is sourced from PubChem (CID 8801763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).