1-[6-(2-ethoxyphenyl)-1,3-benzothiazol-2-yl]-3-ethylurea

C18H19N3O2S — CID 71655598

IUPAC1-[6-(2-ethoxyphenyl)-1,3-benzothiazol-2-yl]-3-ethylurea
SMILESCCNC(=O)Nc1nc2ccc(-c3ccccc3OCC)cc2s1
InChIInChI=1S/C18H19N3O2S/c1-3-19-17(22)21-18-20-14-10-9-12(11-16(14)24-18)13-7-5-6-8-15(13)23-4-2/h5-11H,3-4H2,1-2H3,(H2,19,20,21,22)
InChIKeyWIVSFJKYGWJWQH-UHFFFAOYSA-N
MW341.44 g/mol
LogP4.50
Rot. Bonds5

About 1-[6-(2-ethoxyphenyl)-1,3-benzothiazol-2-yl]-3-ethylurea

1-[6-(2-ethoxyphenyl)-1,3-benzothiazol-2-yl]-3-ethylurea (PubChem CID 71655598) has the molecular formula C18H19N3O2S and a molecular weight of 341.44 g/mol. Its IUPAC name is 1-[6-(2-ethoxyphenyl)-1,3-benzothiazol-2-yl]-3-ethylurea.

Molecular Properties

Compound Name1-[6-(2-ethoxyphenyl)-1,3-benzothiazol-2-yl]-3-ethylurea
PubChem CID71655598
Molecular FormulaC18H19N3O2S
Molecular Weight341.44 g/mol
Exact Mass341.12
IUPAC Name1-[6-(2-ethoxyphenyl)-1,3-benzothiazol-2-yl]-3-ethylurea
SMILESCCNC(=O)Nc1nc2ccc(-c3ccccc3OCC)cc2s1
InChIInChI=1S/C18H19N3O2S/c1-3-19-17(22)21-18-20-14-10-9-12(11-16(14)24-18)13-7-5-6-8-15(13)23-4-2/h5-11H,3-4H2,1-2H3,(H2,19,20,21,22)
InChIKeyWIVSFJKYGWJWQH-UHFFFAOYSA-N
XLogP4.50
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.44
LogP ≤ 54.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[6-(2-ethoxyphenyl)-1,3-benzothiazol-2-yl]-3-ethylurea with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[6-(2-ethoxyphenyl)-1,3-benzothiazol-2-yl]-3-ethylurea?
The IUPAC name of 1-[6-(2-ethoxyphenyl)-1,3-benzothiazol-2-yl]-3-ethylurea (CID 71655598) is 1-[6-(2-ethoxyphenyl)-1,3-benzothiazol-2-yl]-3-ethylurea.
What is the SMILES notation for 1-[6-(2-ethoxyphenyl)-1,3-benzothiazol-2-yl]-3-ethylurea?
The canonical SMILES for 1-[6-(2-ethoxyphenyl)-1,3-benzothiazol-2-yl]-3-ethylurea is CCNC(=O)Nc1nc2ccc(-c3ccccc3OCC)cc2s1.
What is the InChIKey of 1-[6-(2-ethoxyphenyl)-1,3-benzothiazol-2-yl]-3-ethylurea?
The InChIKey is WIVSFJKYGWJWQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O2S/c1-3-19-17(22)21-18-20-14-10-9-12(11-16(14)24-18)13-7-5-6-8-15(13)23-4-2/h5-11H,3-4H2,1-2H3,(H2,19,20,21,22).
What are the key properties of 1-[6-(2-ethoxyphenyl)-1,3-benzothiazol-2-yl]-3-ethylurea?
1-[6-(2-ethoxyphenyl)-1,3-benzothiazol-2-yl]-3-ethylurea has a molecular weight of 341.44 g/mol, XLogP of 4.50, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(2-ethoxyphenyl)-1,3-benzothiazol-2-yl]-3-ethylurea is sourced from PubChem (CID 71655598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).