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

C18H19N3O3S — CID 71655732

IUPAC1-[6-(2-ethoxyphenyl)-1,3-benzothiazol-2-yl]-3-(2-hydroxyethyl)urea
SMILESCCOc1ccccc1-c1ccc2nc(NC(=O)NCCO)sc2c1
InChIInChI=1S/C18H19N3O3S/c1-2-24-15-6-4-3-5-13(15)12-7-8-14-16(11-12)25-18(20-14)21-17(23)19-9-10-22/h3-8,11,22H,2,9-10H2,1H3,(H2,19,20,21,23)
InChIKeyWFIDVFYVUZUUSK-UHFFFAOYSA-N
MW357.44 g/mol
LogP3.48
Rot. Bonds6

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

1-[6-(2-ethoxyphenyl)-1,3-benzothiazol-2-yl]-3-(2-hydroxyethyl)urea (PubChem CID 71655732) has the molecular formula C18H19N3O3S and a molecular weight of 357.44 g/mol. Its IUPAC name is 1-[6-(2-ethoxyphenyl)-1,3-benzothiazol-2-yl]-3-(2-hydroxyethyl)urea.

Molecular Properties

Compound Name1-[6-(2-ethoxyphenyl)-1,3-benzothiazol-2-yl]-3-(2-hydroxyethyl)urea
PubChem CID71655732
Molecular FormulaC18H19N3O3S
Molecular Weight357.44 g/mol
Exact Mass357.11
IUPAC Name1-[6-(2-ethoxyphenyl)-1,3-benzothiazol-2-yl]-3-(2-hydroxyethyl)urea
SMILESCCOc1ccccc1-c1ccc2nc(NC(=O)NCCO)sc2c1
InChIInChI=1S/C18H19N3O3S/c1-2-24-15-6-4-3-5-13(15)12-7-8-14-16(11-12)25-18(20-14)21-17(23)19-9-10-22/h3-8,11,22H,2,9-10H2,1H3,(H2,19,20,21,23)
InChIKeyWFIDVFYVUZUUSK-UHFFFAOYSA-N
XLogP3.48
TPSA83.48 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.44
LogP ≤ 53.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[6-(2-ethoxyphenyl)-1,3-benzothiazol-2-yl]-3-(2-hydroxyethyl)urea?
The IUPAC name of 1-[6-(2-ethoxyphenyl)-1,3-benzothiazol-2-yl]-3-(2-hydroxyethyl)urea (CID 71655732) is 1-[6-(2-ethoxyphenyl)-1,3-benzothiazol-2-yl]-3-(2-hydroxyethyl)urea.
What is the SMILES notation for 1-[6-(2-ethoxyphenyl)-1,3-benzothiazol-2-yl]-3-(2-hydroxyethyl)urea?
The canonical SMILES for 1-[6-(2-ethoxyphenyl)-1,3-benzothiazol-2-yl]-3-(2-hydroxyethyl)urea is CCOc1ccccc1-c1ccc2nc(NC(=O)NCCO)sc2c1.
What is the InChIKey of 1-[6-(2-ethoxyphenyl)-1,3-benzothiazol-2-yl]-3-(2-hydroxyethyl)urea?
The InChIKey is WFIDVFYVUZUUSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O3S/c1-2-24-15-6-4-3-5-13(15)12-7-8-14-16(11-12)25-18(20-14)21-17(23)19-9-10-22/h3-8,11,22H,2,9-10H2,1H3,(H2,19,20,21,23).
What are the key properties of 1-[6-(2-ethoxyphenyl)-1,3-benzothiazol-2-yl]-3-(2-hydroxyethyl)urea?
1-[6-(2-ethoxyphenyl)-1,3-benzothiazol-2-yl]-3-(2-hydroxyethyl)urea has a molecular weight of 357.44 g/mol, XLogP of 3.48, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(2-ethoxyphenyl)-1,3-benzothiazol-2-yl]-3-(2-hydroxyethyl)urea is sourced from PubChem (CID 71655732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).