1-(6-hydroxy-1,3-benzothiazol-2-yl)-3-(3-hydroxyphenyl)urea

C14H11N3O3S — CID 56929347

IUPAC1-(6-hydroxy-1,3-benzothiazol-2-yl)-3-(3-hydroxyphenyl)urea
SMILESO=C(Nc1cccc(O)c1)Nc1nc2ccc(O)cc2s1
InChIInChI=1S/C14H11N3O3S/c18-9-3-1-2-8(6-9)15-13(20)17-14-16-11-5-4-10(19)7-12(11)21-14/h1-7,18-19H,(H2,15,16,17,20)
InChIKeyCBZLUUYEFNCOHU-UHFFFAOYSA-N
MW301.33 g/mol
LogP3.35
Rot. Bonds2

About 1-(6-hydroxy-1,3-benzothiazol-2-yl)-3-(3-hydroxyphenyl)urea

1-(6-hydroxy-1,3-benzothiazol-2-yl)-3-(3-hydroxyphenyl)urea (PubChem CID 56929347) has the molecular formula C14H11N3O3S and a molecular weight of 301.33 g/mol. Its IUPAC name is 1-(6-hydroxy-1,3-benzothiazol-2-yl)-3-(3-hydroxyphenyl)urea.

Molecular Properties

Compound Name1-(6-hydroxy-1,3-benzothiazol-2-yl)-3-(3-hydroxyphenyl)urea
PubChem CID56929347
Molecular FormulaC14H11N3O3S
Molecular Weight301.33 g/mol
Exact Mass301.05
IUPAC Name1-(6-hydroxy-1,3-benzothiazol-2-yl)-3-(3-hydroxyphenyl)urea
SMILESO=C(Nc1cccc(O)c1)Nc1nc2ccc(O)cc2s1
InChIInChI=1S/C14H11N3O3S/c18-9-3-1-2-8(6-9)15-13(20)17-14-16-11-5-4-10(19)7-12(11)21-14/h1-7,18-19H,(H2,15,16,17,20)
InChIKeyCBZLUUYEFNCOHU-UHFFFAOYSA-N
XLogP3.35
TPSA94.48 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.33
LogP ≤ 53.35
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(6-hydroxy-1,3-benzothiazol-2-yl)-3-(3-hydroxyphenyl)urea?
The IUPAC name of 1-(6-hydroxy-1,3-benzothiazol-2-yl)-3-(3-hydroxyphenyl)urea (CID 56929347) is 1-(6-hydroxy-1,3-benzothiazol-2-yl)-3-(3-hydroxyphenyl)urea.
What is the SMILES notation for 1-(6-hydroxy-1,3-benzothiazol-2-yl)-3-(3-hydroxyphenyl)urea?
The canonical SMILES for 1-(6-hydroxy-1,3-benzothiazol-2-yl)-3-(3-hydroxyphenyl)urea is O=C(Nc1cccc(O)c1)Nc1nc2ccc(O)cc2s1.
What is the InChIKey of 1-(6-hydroxy-1,3-benzothiazol-2-yl)-3-(3-hydroxyphenyl)urea?
The InChIKey is CBZLUUYEFNCOHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O3S/c18-9-3-1-2-8(6-9)15-13(20)17-14-16-11-5-4-10(19)7-12(11)21-14/h1-7,18-19H,(H2,15,16,17,20).
What are the key properties of 1-(6-hydroxy-1,3-benzothiazol-2-yl)-3-(3-hydroxyphenyl)urea?
1-(6-hydroxy-1,3-benzothiazol-2-yl)-3-(3-hydroxyphenyl)urea has a molecular weight of 301.33 g/mol, XLogP of 3.35, 2 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-hydroxy-1,3-benzothiazol-2-yl)-3-(3-hydroxyphenyl)urea is sourced from PubChem (CID 56929347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).