1-[6-(2-methoxyphenyl)-1,3-benzothiazol-2-yl]-3-(2-morpholin-4-ylethyl)urea

C21H24N4O3S — CID 71655669

IUPAC1-[6-(2-methoxyphenyl)-1,3-benzothiazol-2-yl]-3-(2-morpholin-4-ylethyl)urea
SMILESCOc1ccccc1-c1ccc2nc(NC(=O)NCCN3CCOCC3)sc2c1
InChIInChI=1S/C21H24N4O3S/c1-27-18-5-3-2-4-16(18)15-6-7-17-19(14-15)29-21(23-17)24-20(26)22-8-9-25-10-12-28-13-11-25/h2-7,14H,8-13H2,1H3,(H2,22,23,24,26)
InChIKeyJNBMUQXSTNCIGJ-UHFFFAOYSA-N
MW412.52 g/mol
LogP3.43
Rot. Bonds6

About 1-[6-(2-methoxyphenyl)-1,3-benzothiazol-2-yl]-3-(2-morpholin-4-ylethyl)urea

1-[6-(2-methoxyphenyl)-1,3-benzothiazol-2-yl]-3-(2-morpholin-4-ylethyl)urea (PubChem CID 71655669) has the molecular formula C21H24N4O3S and a molecular weight of 412.52 g/mol. Its IUPAC name is 1-[6-(2-methoxyphenyl)-1,3-benzothiazol-2-yl]-3-(2-morpholin-4-ylethyl)urea.

Molecular Properties

Compound Name1-[6-(2-methoxyphenyl)-1,3-benzothiazol-2-yl]-3-(2-morpholin-4-ylethyl)urea
PubChem CID71655669
Molecular FormulaC21H24N4O3S
Molecular Weight412.52 g/mol
Exact Mass412.16
IUPAC Name1-[6-(2-methoxyphenyl)-1,3-benzothiazol-2-yl]-3-(2-morpholin-4-ylethyl)urea
SMILESCOc1ccccc1-c1ccc2nc(NC(=O)NCCN3CCOCC3)sc2c1
InChIInChI=1S/C21H24N4O3S/c1-27-18-5-3-2-4-16(18)15-6-7-17-19(14-15)29-21(23-17)24-20(26)22-8-9-25-10-12-28-13-11-25/h2-7,14H,8-13H2,1H3,(H2,22,23,24,26)
InChIKeyJNBMUQXSTNCIGJ-UHFFFAOYSA-N
XLogP3.43
TPSA75.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.52
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-[6-(2-methoxyphenyl)-1,3-benzothiazol-2-yl]-3-(2-morpholin-4-ylethyl)urea 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-methoxyphenyl)-1,3-benzothiazol-2-yl]-3-(2-morpholin-4-ylethyl)urea?
The IUPAC name of 1-[6-(2-methoxyphenyl)-1,3-benzothiazol-2-yl]-3-(2-morpholin-4-ylethyl)urea (CID 71655669) is 1-[6-(2-methoxyphenyl)-1,3-benzothiazol-2-yl]-3-(2-morpholin-4-ylethyl)urea.
What is the SMILES notation for 1-[6-(2-methoxyphenyl)-1,3-benzothiazol-2-yl]-3-(2-morpholin-4-ylethyl)urea?
The canonical SMILES for 1-[6-(2-methoxyphenyl)-1,3-benzothiazol-2-yl]-3-(2-morpholin-4-ylethyl)urea is COc1ccccc1-c1ccc2nc(NC(=O)NCCN3CCOCC3)sc2c1.
What is the InChIKey of 1-[6-(2-methoxyphenyl)-1,3-benzothiazol-2-yl]-3-(2-morpholin-4-ylethyl)urea?
The InChIKey is JNBMUQXSTNCIGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O3S/c1-27-18-5-3-2-4-16(18)15-6-7-17-19(14-15)29-21(23-17)24-20(26)22-8-9-25-10-12-28-13-11-25/h2-7,14H,8-13H2,1H3,(H2,22,23,24,26).
What are the key properties of 1-[6-(2-methoxyphenyl)-1,3-benzothiazol-2-yl]-3-(2-morpholin-4-ylethyl)urea?
1-[6-(2-methoxyphenyl)-1,3-benzothiazol-2-yl]-3-(2-morpholin-4-ylethyl)urea has a molecular weight of 412.52 g/mol, XLogP of 3.43, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(2-methoxyphenyl)-1,3-benzothiazol-2-yl]-3-(2-morpholin-4-ylethyl)urea is sourced from PubChem (CID 71655669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).