ethyl 2-[(2-acetamido-4-methoxy-1,3-benzothiazol-6-yl)carbamoylamino]acetate

C15H18N4O5S — CID 46326034

IUPACethyl 2-[(2-acetamido-4-methoxy-1,3-benzothiazol-6-yl)carbamoylamino]acetate
SMILESCCOC(=O)CNC(=O)Nc1cc(OC)c2nc(NC(C)=O)sc2c1
InChIInChI=1S/C15H18N4O5S/c1-4-24-12(21)7-16-14(22)18-9-5-10(23-3)13-11(6-9)25-15(19-13)17-8(2)20/h5-6H,4,7H2,1-3H3,(H2,16,18,22)(H,17,19,20)
InChIKeyGYFQVDCFMIWZTO-UHFFFAOYSA-N
MW366.40 g/mol
LogP1.95
Rot. Bonds6

About ethyl 2-[(2-acetamido-4-methoxy-1,3-benzothiazol-6-yl)carbamoylamino]acetate

ethyl 2-[(2-acetamido-4-methoxy-1,3-benzothiazol-6-yl)carbamoylamino]acetate (PubChem CID 46326034) has the molecular formula C15H18N4O5S and a molecular weight of 366.40 g/mol. Its IUPAC name is ethyl 2-[(2-acetamido-4-methoxy-1,3-benzothiazol-6-yl)carbamoylamino]acetate.

Molecular Properties

Compound Nameethyl 2-[(2-acetamido-4-methoxy-1,3-benzothiazol-6-yl)carbamoylamino]acetate
PubChem CID46326034
Molecular FormulaC15H18N4O5S
Molecular Weight366.40 g/mol
Exact Mass366.10
IUPAC Nameethyl 2-[(2-acetamido-4-methoxy-1,3-benzothiazol-6-yl)carbamoylamino]acetate
SMILESCCOC(=O)CNC(=O)Nc1cc(OC)c2nc(NC(C)=O)sc2c1
InChIInChI=1S/C15H18N4O5S/c1-4-24-12(21)7-16-14(22)18-9-5-10(23-3)13-11(6-9)25-15(19-13)17-8(2)20/h5-6H,4,7H2,1-3H3,(H2,16,18,22)(H,17,19,20)
InChIKeyGYFQVDCFMIWZTO-UHFFFAOYSA-N
XLogP1.95
TPSA118.65 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.40
LogP ≤ 51.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze ethyl 2-[(2-acetamido-4-methoxy-1,3-benzothiazol-6-yl)carbamoylamino]acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl (3S)-3-[(2-acetamido-4-methoxy-1,3-benzothiazol-6-yl)carbamoylamino]-3-phenylpropanoate
CID 92869915
N-[4-methoxy-6-[(3-methylphenyl)carbamoylamino]-1,3-benzothiazol-2-yl]acetamide
CID 46326028
N-[4-methoxy-6-[(2-methylphenyl)carbamoylamino]-1,3-benzothiazol-2-yl]acetamide
CID 46326019
N-[6-[(2,4-dimethylphenyl)carbamoylamino]-4-methoxy-1,3-benzothiazol-2-yl]acetamide
CID 46326031
1-(6-amino-4-methoxy-1,3-benzothiazol-2-yl)-3-ethylurea
CID 43551282
N-[6-(butan-2-ylcarbamoylamino)-4-methoxy-1,3-benzothiazol-2-yl]propanamide
CID 46325998
ethyl 2-[(2-benzamido-4-methoxy-1,3-benzothiazol-6-yl)carbamoylamino]benzoate
CID 46326065
N-[6-(benzylcarbamoylamino)-4-methoxy-1,3-benzothiazol-2-yl]benzamide
CID 46326077
N-(2-acetamido-4-methoxy-1,3-benzothiazol-6-yl)-4-morpholin-4-yl-4-oxobutanamide
CID 46291069
ethyl 2-[(5-methyl-1,3-thiazol-2-yl)carbamoylamino]acetate
CID 43384951
N-[6-[(2,5-dimethylphenyl)sulfonylamino]-4-methoxy-1,3-benzothiazol-2-yl]acetamide
CID 46325673
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 ethyl 2-[(2-acetamido-4-methoxy-1,3-benzothiazol-6-yl)carbamoylamino]acetate?
The IUPAC name of ethyl 2-[(2-acetamido-4-methoxy-1,3-benzothiazol-6-yl)carbamoylamino]acetate (CID 46326034) is ethyl 2-[(2-acetamido-4-methoxy-1,3-benzothiazol-6-yl)carbamoylamino]acetate.
What is the SMILES notation for ethyl 2-[(2-acetamido-4-methoxy-1,3-benzothiazol-6-yl)carbamoylamino]acetate?
The canonical SMILES for ethyl 2-[(2-acetamido-4-methoxy-1,3-benzothiazol-6-yl)carbamoylamino]acetate is CCOC(=O)CNC(=O)Nc1cc(OC)c2nc(NC(C)=O)sc2c1.
What is the InChIKey of ethyl 2-[(2-acetamido-4-methoxy-1,3-benzothiazol-6-yl)carbamoylamino]acetate?
The InChIKey is GYFQVDCFMIWZTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O5S/c1-4-24-12(21)7-16-14(22)18-9-5-10(23-3)13-11(6-9)25-15(19-13)17-8(2)20/h5-6H,4,7H2,1-3H3,(H2,16,18,22)(H,17,19,20).
What are the key properties of ethyl 2-[(2-acetamido-4-methoxy-1,3-benzothiazol-6-yl)carbamoylamino]acetate?
ethyl 2-[(2-acetamido-4-methoxy-1,3-benzothiazol-6-yl)carbamoylamino]acetate has a molecular weight of 366.40 g/mol, XLogP of 1.95, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(2-acetamido-4-methoxy-1,3-benzothiazol-6-yl)carbamoylamino]acetate is sourced from PubChem (CID 46326034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).