ethyl 3-(4-chlorophenyl)-2-[(6-methoxy-1,3-benzothiazol-2-yl)amino]propanoate

C19H19ClN2O3S — CID 10385756

IUPACethyl 3-(4-chlorophenyl)-2-[(6-methoxy-1,3-benzothiazol-2-yl)amino]propanoate
SMILESCCOC(=O)C(Cc1ccc(Cl)cc1)Nc1nc2ccc(OC)cc2s1
InChIInChI=1S/C19H19ClN2O3S/c1-3-25-18(23)16(10-12-4-6-13(20)7-5-12)22-19-21-15-9-8-14(24-2)11-17(15)26-19/h4-9,11,16H,3,10H2,1-2H3,(H,21,22)
InChIKeyHUWHZXHWRZIGLK-UHFFFAOYSA-N
MW390.89 g/mol
LogP4.54
Rot. Bonds7

About ethyl 3-(4-chlorophenyl)-2-[(6-methoxy-1,3-benzothiazol-2-yl)amino]propanoate

ethyl 3-(4-chlorophenyl)-2-[(6-methoxy-1,3-benzothiazol-2-yl)amino]propanoate (PubChem CID 10385756) has the molecular formula C19H19ClN2O3S and a molecular weight of 390.89 g/mol. Its IUPAC name is ethyl 3-(4-chlorophenyl)-2-[(6-methoxy-1,3-benzothiazol-2-yl)amino]propanoate.

Molecular Properties

Compound Nameethyl 3-(4-chlorophenyl)-2-[(6-methoxy-1,3-benzothiazol-2-yl)amino]propanoate
PubChem CID10385756
Molecular FormulaC19H19ClN2O3S
Molecular Weight390.89 g/mol
Exact Mass390.08
IUPAC Nameethyl 3-(4-chlorophenyl)-2-[(6-methoxy-1,3-benzothiazol-2-yl)amino]propanoate
SMILESCCOC(=O)C(Cc1ccc(Cl)cc1)Nc1nc2ccc(OC)cc2s1
InChIInChI=1S/C19H19ClN2O3S/c1-3-25-18(23)16(10-12-4-6-13(20)7-5-12)22-19-21-15-9-8-14(24-2)11-17(15)26-19/h4-9,11,16H,3,10H2,1-2H3,(H,21,22)
InChIKeyHUWHZXHWRZIGLK-UHFFFAOYSA-N
XLogP4.54
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.89
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-(4-chlorophenyl)-2-[(6-methoxy-1,3-benzothiazol-2-yl)amino]propanoate?
The IUPAC name of ethyl 3-(4-chlorophenyl)-2-[(6-methoxy-1,3-benzothiazol-2-yl)amino]propanoate (CID 10385756) is ethyl 3-(4-chlorophenyl)-2-[(6-methoxy-1,3-benzothiazol-2-yl)amino]propanoate.
What is the SMILES notation for ethyl 3-(4-chlorophenyl)-2-[(6-methoxy-1,3-benzothiazol-2-yl)amino]propanoate?
The canonical SMILES for ethyl 3-(4-chlorophenyl)-2-[(6-methoxy-1,3-benzothiazol-2-yl)amino]propanoate is CCOC(=O)C(Cc1ccc(Cl)cc1)Nc1nc2ccc(OC)cc2s1.
What is the InChIKey of ethyl 3-(4-chlorophenyl)-2-[(6-methoxy-1,3-benzothiazol-2-yl)amino]propanoate?
The InChIKey is HUWHZXHWRZIGLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN2O3S/c1-3-25-18(23)16(10-12-4-6-13(20)7-5-12)22-19-21-15-9-8-14(24-2)11-17(15)26-19/h4-9,11,16H,3,10H2,1-2H3,(H,21,22).
What are the key properties of ethyl 3-(4-chlorophenyl)-2-[(6-methoxy-1,3-benzothiazol-2-yl)amino]propanoate?
ethyl 3-(4-chlorophenyl)-2-[(6-methoxy-1,3-benzothiazol-2-yl)amino]propanoate has a molecular weight of 390.89 g/mol, XLogP of 4.54, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(4-chlorophenyl)-2-[(6-methoxy-1,3-benzothiazol-2-yl)amino]propanoate is sourced from PubChem (CID 10385756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).