1-(6-ethoxy-3-methyl-1,3-benzothiazol-2-ylidene)-3-(4-methoxyphenyl)urea

C18H19N3O3S — CID 4127365

IUPAC1-(6-ethoxy-3-methyl-1,3-benzothiazol-2-ylidene)-3-(4-methoxyphenyl)urea
SMILESCCOc1ccc2c(c1)sc(=NC(=O)Nc1ccc(OC)cc1)n2C
InChIInChI=1S/C18H19N3O3S/c1-4-24-14-9-10-15-16(11-14)25-18(21(15)2)20-17(22)19-12-5-7-13(23-3)8-6-12/h5-11H,4H2,1-3H3,(H,19,22)
InChIKeyJQXDRMPJGHPXOM-UHFFFAOYSA-N
MW357.44 g/mol
LogP3.78
Rot. Bonds4

About 1-(6-ethoxy-3-methyl-1,3-benzothiazol-2-ylidene)-3-(4-methoxyphenyl)urea

1-(6-ethoxy-3-methyl-1,3-benzothiazol-2-ylidene)-3-(4-methoxyphenyl)urea (PubChem CID 4127365) has the molecular formula C18H19N3O3S and a molecular weight of 357.44 g/mol. Its IUPAC name is 1-(6-ethoxy-3-methyl-1,3-benzothiazol-2-ylidene)-3-(4-methoxyphenyl)urea.

Molecular Properties

Compound Name1-(6-ethoxy-3-methyl-1,3-benzothiazol-2-ylidene)-3-(4-methoxyphenyl)urea
PubChem CID4127365
Molecular FormulaC18H19N3O3S
Molecular Weight357.44 g/mol
Exact Mass357.11
IUPAC Name1-(6-ethoxy-3-methyl-1,3-benzothiazol-2-ylidene)-3-(4-methoxyphenyl)urea
SMILESCCOc1ccc2c(c1)sc(=NC(=O)Nc1ccc(OC)cc1)n2C
InChIInChI=1S/C18H19N3O3S/c1-4-24-14-9-10-15-16(11-14)25-18(21(15)2)20-17(22)19-12-5-7-13(23-3)8-6-12/h5-11H,4H2,1-3H3,(H,19,22)
InChIKeyJQXDRMPJGHPXOM-UHFFFAOYSA-N
XLogP3.78
TPSA64.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.44
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(6-ethoxy-3-methyl-1,3-benzothiazol-2-ylidene)-3-(4-methoxyphenyl)urea?
The IUPAC name of 1-(6-ethoxy-3-methyl-1,3-benzothiazol-2-ylidene)-3-(4-methoxyphenyl)urea (CID 4127365) is 1-(6-ethoxy-3-methyl-1,3-benzothiazol-2-ylidene)-3-(4-methoxyphenyl)urea.
What is the SMILES notation for 1-(6-ethoxy-3-methyl-1,3-benzothiazol-2-ylidene)-3-(4-methoxyphenyl)urea?
The canonical SMILES for 1-(6-ethoxy-3-methyl-1,3-benzothiazol-2-ylidene)-3-(4-methoxyphenyl)urea is CCOc1ccc2c(c1)sc(=NC(=O)Nc1ccc(OC)cc1)n2C.
What is the InChIKey of 1-(6-ethoxy-3-methyl-1,3-benzothiazol-2-ylidene)-3-(4-methoxyphenyl)urea?
The InChIKey is JQXDRMPJGHPXOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O3S/c1-4-24-14-9-10-15-16(11-14)25-18(21(15)2)20-17(22)19-12-5-7-13(23-3)8-6-12/h5-11H,4H2,1-3H3,(H,19,22).
What are the key properties of 1-(6-ethoxy-3-methyl-1,3-benzothiazol-2-ylidene)-3-(4-methoxyphenyl)urea?
1-(6-ethoxy-3-methyl-1,3-benzothiazol-2-ylidene)-3-(4-methoxyphenyl)urea has a molecular weight of 357.44 g/mol, XLogP of 3.78, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-ethoxy-3-methyl-1,3-benzothiazol-2-ylidene)-3-(4-methoxyphenyl)urea is sourced from PubChem (CID 4127365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).