N-(1,3-benzodioxol-5-yl)-2-[(4-methoxy-1,3-benzothiazol-2-yl)-methylamino]acetamide

C18H17N3O4S — CID 56765770

IUPACN-(1,3-benzodioxol-5-yl)-2-[(4-methoxy-1,3-benzothiazol-2-yl)-methylamino]acetamide
SMILESCOc1cccc2sc(N(C)CC(=O)Nc3ccc4c(c3)OCO4)nc12
InChIInChI=1S/C18H17N3O4S/c1-21(18-20-17-13(23-2)4-3-5-15(17)26-18)9-16(22)19-11-6-7-12-14(8-11)25-10-24-12/h3-8H,9-10H2,1-2H3,(H,19,22)
InChIKeyVGCAPTOBQFOKTA-UHFFFAOYSA-N
MW371.42 g/mol
LogP3.11
Rot. Bonds5

About N-(1,3-benzodioxol-5-yl)-2-[(4-methoxy-1,3-benzothiazol-2-yl)-methylamino]acetamide

N-(1,3-benzodioxol-5-yl)-2-[(4-methoxy-1,3-benzothiazol-2-yl)-methylamino]acetamide (PubChem CID 56765770) has the molecular formula C18H17N3O4S and a molecular weight of 371.42 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-2-[(4-methoxy-1,3-benzothiazol-2-yl)-methylamino]acetamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-2-[(4-methoxy-1,3-benzothiazol-2-yl)-methylamino]acetamide
PubChem CID56765770
Molecular FormulaC18H17N3O4S
Molecular Weight371.42 g/mol
Exact Mass371.09
IUPAC NameN-(1,3-benzodioxol-5-yl)-2-[(4-methoxy-1,3-benzothiazol-2-yl)-methylamino]acetamide
SMILESCOc1cccc2sc(N(C)CC(=O)Nc3ccc4c(c3)OCO4)nc12
InChIInChI=1S/C18H17N3O4S/c1-21(18-20-17-13(23-2)4-3-5-15(17)26-18)9-16(22)19-11-6-7-12-14(8-11)25-10-24-12/h3-8H,9-10H2,1-2H3,(H,19,22)
InChIKeyVGCAPTOBQFOKTA-UHFFFAOYSA-N
XLogP3.11
TPSA72.92 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.42
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(1,3-benzodioxol-5-yl)-2-[1,3-benzothiazol-2-yl(methyl)amino]acetamide
CID 90605436
1-(1,3-benzodioxol-5-yl)-3-(4-methoxy-1,3-benzothiazol-2-yl)urea
CID 121082151
2-[(4-methoxy-1,3-benzothiazol-2-yl)-methylamino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 90605660
2-[2-[[2-[(4-methoxy-1,3-benzothiazol-2-yl)-methylamino]acetyl]amino]-1,3-thiazol-4-yl]acetamide
CID 90605694
2-[(4-methoxy-1,3-benzothiazol-2-yl)-methylamino]-N-(2-methylsulfanylphenyl)acetamide
CID 90605614
2-[(4-methoxy-1,3-benzothiazol-2-yl)-methylamino]-N,N-dimethylacetamide
CID 90605526
2-[(4-methoxy-1,3-benzothiazol-2-yl)-methylamino]-N-[2-(trifluoromethoxy)phenyl]acetamide
CID 90605712
N-(3,4-dimethylphenyl)-2-[(4-fluoro-1,3-benzothiazol-2-yl)-methylamino]acetamide
CID 90605846
N-(1,3-benzodioxol-5-yl)-2-(2,3-dimethoxyphenoxy)acetamide
CID 112978494
N-(2,5-dimethoxyphenyl)-2-[(4-fluoro-1,3-benzothiazol-2-yl)-methylamino]acetamide
CID 90605850
2-(N-acetyl-2-methoxyanilino)-N-(1,3-benzodioxol-5-yl)acetamide
CID 113173267
N-[6-(1,3-benzodioxol-5-ylcarbamoylamino)-4-methoxy-1,3-benzothiazol-2-yl]propanamide
CID 46325992

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-2-[(4-methoxy-1,3-benzothiazol-2-yl)-methylamino]acetamide?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-2-[(4-methoxy-1,3-benzothiazol-2-yl)-methylamino]acetamide (CID 56765770) is N-(1,3-benzodioxol-5-yl)-2-[(4-methoxy-1,3-benzothiazol-2-yl)-methylamino]acetamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-2-[(4-methoxy-1,3-benzothiazol-2-yl)-methylamino]acetamide?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-2-[(4-methoxy-1,3-benzothiazol-2-yl)-methylamino]acetamide is COc1cccc2sc(N(C)CC(=O)Nc3ccc4c(c3)OCO4)nc12.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-2-[(4-methoxy-1,3-benzothiazol-2-yl)-methylamino]acetamide?
The InChIKey is VGCAPTOBQFOKTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O4S/c1-21(18-20-17-13(23-2)4-3-5-15(17)26-18)9-16(22)19-11-6-7-12-14(8-11)25-10-24-12/h3-8H,9-10H2,1-2H3,(H,19,22).
What are the key properties of N-(1,3-benzodioxol-5-yl)-2-[(4-methoxy-1,3-benzothiazol-2-yl)-methylamino]acetamide?
N-(1,3-benzodioxol-5-yl)-2-[(4-methoxy-1,3-benzothiazol-2-yl)-methylamino]acetamide has a molecular weight of 371.42 g/mol, XLogP of 3.11, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-yl)-2-[(4-methoxy-1,3-benzothiazol-2-yl)-methylamino]acetamide is sourced from PubChem (CID 56765770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).