N-(1,3-benzodioxol-5-yl)-2-[1,3-benzothiazol-2-yl(methyl)amino]acetamide

C17H15N3O3S — CID 90605436

IUPACN-(1,3-benzodioxol-5-yl)-2-[1,3-benzothiazol-2-yl(methyl)amino]acetamide
SMILESCN(CC(=O)Nc1ccc2c(c1)OCO2)c1nc2ccccc2s1
InChIInChI=1S/C17H15N3O3S/c1-20(17-19-12-4-2-3-5-15(12)24-17)9-16(21)18-11-6-7-13-14(8-11)23-10-22-13/h2-8H,9-10H2,1H3,(H,18,21)
InChIKeySQDBOTGQCQCFEB-UHFFFAOYSA-N
MW341.39 g/mol
LogP3.10
Rot. Bonds4

About N-(1,3-benzodioxol-5-yl)-2-[1,3-benzothiazol-2-yl(methyl)amino]acetamide

N-(1,3-benzodioxol-5-yl)-2-[1,3-benzothiazol-2-yl(methyl)amino]acetamide (PubChem CID 90605436) has the molecular formula C17H15N3O3S and a molecular weight of 341.39 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-2-[1,3-benzothiazol-2-yl(methyl)amino]acetamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-2-[1,3-benzothiazol-2-yl(methyl)amino]acetamide
PubChem CID90605436
Molecular FormulaC17H15N3O3S
Molecular Weight341.39 g/mol
Exact Mass341.08
IUPAC NameN-(1,3-benzodioxol-5-yl)-2-[1,3-benzothiazol-2-yl(methyl)amino]acetamide
SMILESCN(CC(=O)Nc1ccc2c(c1)OCO2)c1nc2ccccc2s1
InChIInChI=1S/C17H15N3O3S/c1-20(17-19-12-4-2-3-5-15(12)24-17)9-16(21)18-11-6-7-13-14(8-11)23-10-22-13/h2-8H,9-10H2,1H3,(H,18,21)
InChIKeySQDBOTGQCQCFEB-UHFFFAOYSA-N
XLogP3.10
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.39
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(1,3-benzodioxol-5-yl)-2-[(4-methoxy-1,3-benzothiazol-2-yl)-methylamino]acetamide
CID 56765770
N-(4-acetamidophenyl)-2-[1,3-benzothiazol-2-yl(methyl)amino]acetamide
CID 90605410
N-(1,3-benzodioxol-5-yl)-2-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]acetamide
CID 7435569
2-[2-[[2-[1,3-benzothiazol-2-yl(methyl)amino]acetyl]amino]-1,3-thiazol-4-yl]acetamide
CID 90605494
2-(1,3-benzodioxol-5-yl)-N-(1,3-benzothiazol-2-yl)-N-[2-(dimethylamino)ethyl]acetamide
CID 41107190
2-[acetyl(methyl)amino]-N-(1,3-benzodioxol-5-yl)acetamide
CID 39087396
[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]-methylazanium
CID 9047938
N-(1,3-benzodioxol-5-yl)-2-[3-(1,3-benzothiazol-2-yl)anilino]propanamide
CID 55361626
2-[1,3-benzothiazol-2-yl(methyl)amino]-N-cyclohexylacetamide
CID 90605360
2-[[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]-methylamino]-N-(4-methylphenyl)acetamide
CID 2594208
N-(1,3-benzodioxol-5-yl)-2-[1-(1-benzofuran-2-yl)ethyl-methylamino]acetamide
CID 42891727
N-(1,3-benzodioxol-5-yl)-1-(1,3-benzothiazol-2-ylmethyl)piperidine-4-carboxamide
CID 8995705

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-2-[1,3-benzothiazol-2-yl(methyl)amino]acetamide?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-2-[1,3-benzothiazol-2-yl(methyl)amino]acetamide (CID 90605436) is N-(1,3-benzodioxol-5-yl)-2-[1,3-benzothiazol-2-yl(methyl)amino]acetamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-2-[1,3-benzothiazol-2-yl(methyl)amino]acetamide?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-2-[1,3-benzothiazol-2-yl(methyl)amino]acetamide is CN(CC(=O)Nc1ccc2c(c1)OCO2)c1nc2ccccc2s1.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-2-[1,3-benzothiazol-2-yl(methyl)amino]acetamide?
The InChIKey is SQDBOTGQCQCFEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O3S/c1-20(17-19-12-4-2-3-5-15(12)24-17)9-16(21)18-11-6-7-13-14(8-11)23-10-22-13/h2-8H,9-10H2,1H3,(H,18,21).
What are the key properties of N-(1,3-benzodioxol-5-yl)-2-[1,3-benzothiazol-2-yl(methyl)amino]acetamide?
N-(1,3-benzodioxol-5-yl)-2-[1,3-benzothiazol-2-yl(methyl)amino]acetamide has a molecular weight of 341.39 g/mol, XLogP of 3.10, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-yl)-2-[1,3-benzothiazol-2-yl(methyl)amino]acetamide is sourced from PubChem (CID 90605436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).