N-[(E)-(3-methyl-1,3-benzothiazol-2-ylidene)amino]-2-(4-propanoylphenoxy)acetamide

C19H19N3O3S — CID 7928967

IUPACN-[(E)-(3-methyl-1,3-benzothiazol-2-ylidene)amino]-2-(4-propanoylphenoxy)acetamide
SMILESCCC(=O)c1ccc(OCC(=O)N/N=c2/sc3ccccc3n2C)cc1
InChIInChI=1S/C19H19N3O3S/c1-3-16(23)13-8-10-14(11-9-13)25-12-18(24)20-21-19-22(2)15-6-4-5-7-17(15)26-19/h4-11H,3,12H2,1-2H3,(H,20,24)/b21-19+
InChIKeyJEMZAXIULZMWIA-XUTLUUPISA-N
MW369.45 g/mol
LogP2.84
Rot. Bonds6

About N-[(E)-(3-methyl-1,3-benzothiazol-2-ylidene)amino]-2-(4-propanoylphenoxy)acetamide

N-[(E)-(3-methyl-1,3-benzothiazol-2-ylidene)amino]-2-(4-propanoylphenoxy)acetamide (PubChem CID 7928967) has the molecular formula C19H19N3O3S and a molecular weight of 369.45 g/mol. Its IUPAC name is N-[(E)-(3-methyl-1,3-benzothiazol-2-ylidene)amino]-2-(4-propanoylphenoxy)acetamide.

Molecular Properties

Compound NameN-[(E)-(3-methyl-1,3-benzothiazol-2-ylidene)amino]-2-(4-propanoylphenoxy)acetamide
PubChem CID7928967
Molecular FormulaC19H19N3O3S
Molecular Weight369.45 g/mol
Exact Mass369.11
IUPAC NameN-[(E)-(3-methyl-1,3-benzothiazol-2-ylidene)amino]-2-(4-propanoylphenoxy)acetamide
SMILESCCC(=O)c1ccc(OCC(=O)N/N=c2/sc3ccccc3n2C)cc1
InChIInChI=1S/C19H19N3O3S/c1-3-16(23)13-8-10-14(11-9-13)25-12-18(24)20-21-19-22(2)15-6-4-5-7-17(15)26-19/h4-11H,3,12H2,1-2H3,(H,20,24)/b21-19+
InChIKeyJEMZAXIULZMWIA-XUTLUUPISA-N
XLogP2.84
TPSA72.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.45
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(3-bromophenoxy)-N-[(E)-(3-methyl-1,3-benzothiazol-2-ylidene)amino]acetamide
CID 7928877
N-[(E)-(3-methyl-1,3-benzothiazol-2-ylidene)amino]-3-(4-methylphenoxy)propanamide
CID 7928957
2-(2,4-dichlorophenoxy)-N-[(3-methyl-1,3-benzothiazol-2-ylidene)amino]acetamide
CID 4054497
N-[(Z)-(3-methyl-1,3-benzothiazol-2-ylidene)amino]-2-[(4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl)oxy]acetamide
CID 6235822
ethyl N-[(Z)-(3-methyl-1,3-benzothiazol-2-ylidene)amino]carbamate
CID 6013283
N-[(3-methyl-1,3-benzothiazol-2-ylidene)amino]-2-propylsulfonylacetamide
CID 76869138
2-(3,4-dimethylphenyl)-N-[(E)-(3-methyl-1,3-benzothiazol-2-ylidene)amino]acetamide
CID 7928815
2-(benzylcarbamoylamino)-N-[(Z)-(3-methyl-1,3-benzothiazol-2-ylidene)amino]acetamide
CID 46560431
1-[(E)-(3-methyl-1,3-benzothiazol-2-ylidene)amino]-3-prop-2-ynylurea
CID 98433969
2,5-dimethoxy-N-[(Z)-(3-methyl-1,3-benzothiazol-2-ylidene)amino]benzamide
CID 16556778
[(E)-(3-methyl-1,3-benzothiazol-2-ylidene)amino]thiourea
CID 5407964
[(3-methyl-1,3-benzothiazol-2-ylidene)amino]thiourea
CID 798473

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(3-methyl-1,3-benzothiazol-2-ylidene)amino]-2-(4-propanoylphenoxy)acetamide?
The IUPAC name of N-[(E)-(3-methyl-1,3-benzothiazol-2-ylidene)amino]-2-(4-propanoylphenoxy)acetamide (CID 7928967) is N-[(E)-(3-methyl-1,3-benzothiazol-2-ylidene)amino]-2-(4-propanoylphenoxy)acetamide.
What is the SMILES notation for N-[(E)-(3-methyl-1,3-benzothiazol-2-ylidene)amino]-2-(4-propanoylphenoxy)acetamide?
The canonical SMILES for N-[(E)-(3-methyl-1,3-benzothiazol-2-ylidene)amino]-2-(4-propanoylphenoxy)acetamide is CCC(=O)c1ccc(OCC(=O)N/N=c2/sc3ccccc3n2C)cc1.
What is the InChIKey of N-[(E)-(3-methyl-1,3-benzothiazol-2-ylidene)amino]-2-(4-propanoylphenoxy)acetamide?
The InChIKey is JEMZAXIULZMWIA-XUTLUUPISA-N. The full InChI is InChI=1S/C19H19N3O3S/c1-3-16(23)13-8-10-14(11-9-13)25-12-18(24)20-21-19-22(2)15-6-4-5-7-17(15)26-19/h4-11H,3,12H2,1-2H3,(H,20,24)/b21-19+.
What are the key properties of N-[(E)-(3-methyl-1,3-benzothiazol-2-ylidene)amino]-2-(4-propanoylphenoxy)acetamide?
N-[(E)-(3-methyl-1,3-benzothiazol-2-ylidene)amino]-2-(4-propanoylphenoxy)acetamide has a molecular weight of 369.45 g/mol, XLogP of 2.84, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(3-methyl-1,3-benzothiazol-2-ylidene)amino]-2-(4-propanoylphenoxy)acetamide is sourced from PubChem (CID 7928967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).