1-(6-hydroxy-1,3-benzothiazol-2-yl)-3-phenylurea

C14H11N3O2S — CID 21413325

IUPAC1-(6-hydroxy-1,3-benzothiazol-2-yl)-3-phenylurea
SMILESO=C(Nc1ccccc1)Nc1nc2ccc(O)cc2s1
InChIInChI=1S/C14H11N3O2S/c18-10-6-7-11-12(8-10)20-14(16-11)17-13(19)15-9-4-2-1-3-5-9/h1-8,18H,(H2,15,16,17,19)
InChIKeyFHGHSZMOPRZRNU-UHFFFAOYSA-N
MW285.33 g/mol
LogP3.65
Rot. Bonds2

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

1-(6-hydroxy-1,3-benzothiazol-2-yl)-3-phenylurea (PubChem CID 21413325) has the molecular formula C14H11N3O2S and a molecular weight of 285.33 g/mol. Its IUPAC name is 1-(6-hydroxy-1,3-benzothiazol-2-yl)-3-phenylurea.

Molecular Properties

Compound Name1-(6-hydroxy-1,3-benzothiazol-2-yl)-3-phenylurea
PubChem CID21413325
Molecular FormulaC14H11N3O2S
Molecular Weight285.33 g/mol
Exact Mass285.06
IUPAC Name1-(6-hydroxy-1,3-benzothiazol-2-yl)-3-phenylurea
SMILESO=C(Nc1ccccc1)Nc1nc2ccc(O)cc2s1
InChIInChI=1S/C14H11N3O2S/c18-10-6-7-11-12(8-10)20-14(16-11)17-13(19)15-9-4-2-1-3-5-9/h1-8,18H,(H2,15,16,17,19)
InChIKeyFHGHSZMOPRZRNU-UHFFFAOYSA-N
XLogP3.65
TPSA74.25 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.33
LogP ≤ 53.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(6-hydroxy-1,3-benzothiazol-2-yl)-3-phenylurea?
The IUPAC name of 1-(6-hydroxy-1,3-benzothiazol-2-yl)-3-phenylurea (CID 21413325) is 1-(6-hydroxy-1,3-benzothiazol-2-yl)-3-phenylurea.
What is the SMILES notation for 1-(6-hydroxy-1,3-benzothiazol-2-yl)-3-phenylurea?
The canonical SMILES for 1-(6-hydroxy-1,3-benzothiazol-2-yl)-3-phenylurea is O=C(Nc1ccccc1)Nc1nc2ccc(O)cc2s1.
What is the InChIKey of 1-(6-hydroxy-1,3-benzothiazol-2-yl)-3-phenylurea?
The InChIKey is FHGHSZMOPRZRNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O2S/c18-10-6-7-11-12(8-10)20-14(16-11)17-13(19)15-9-4-2-1-3-5-9/h1-8,18H,(H2,15,16,17,19).
What are the key properties of 1-(6-hydroxy-1,3-benzothiazol-2-yl)-3-phenylurea?
1-(6-hydroxy-1,3-benzothiazol-2-yl)-3-phenylurea has a molecular weight of 285.33 g/mol, XLogP of 3.65, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-hydroxy-1,3-benzothiazol-2-yl)-3-phenylurea is sourced from PubChem (CID 21413325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).