1-(1,3-benzothiazol-5-yl)-3-(5-cyclobutyl-1,3-thiazol-2-yl)urea

C15H14N4OS2 — CID 22731379

IUPAC1-(1,3-benzothiazol-5-yl)-3-(5-cyclobutyl-1,3-thiazol-2-yl)urea
SMILESO=C(Nc1ccc2scnc2c1)Nc1ncc(C2CCC2)s1
InChIInChI=1S/C15H14N4OS2/c20-14(18-10-4-5-12-11(6-10)17-8-21-12)19-15-16-7-13(22-15)9-2-1-3-9/h4-9H,1-3H2,(H2,16,18,19,20)
InChIKeyQUDGETOHLPZYJU-UHFFFAOYSA-N
MW330.44 g/mol
LogP4.66
Rot. Bonds3

About 1-(1,3-benzothiazol-5-yl)-3-(5-cyclobutyl-1,3-thiazol-2-yl)urea

1-(1,3-benzothiazol-5-yl)-3-(5-cyclobutyl-1,3-thiazol-2-yl)urea (PubChem CID 22731379) has the molecular formula C15H14N4OS2 and a molecular weight of 330.44 g/mol. Its IUPAC name is 1-(1,3-benzothiazol-5-yl)-3-(5-cyclobutyl-1,3-thiazol-2-yl)urea.

Molecular Properties

Compound Name1-(1,3-benzothiazol-5-yl)-3-(5-cyclobutyl-1,3-thiazol-2-yl)urea
PubChem CID22731379
Molecular FormulaC15H14N4OS2
Molecular Weight330.44 g/mol
Exact Mass330.06
IUPAC Name1-(1,3-benzothiazol-5-yl)-3-(5-cyclobutyl-1,3-thiazol-2-yl)urea
SMILESO=C(Nc1ccc2scnc2c1)Nc1ncc(C2CCC2)s1
InChIInChI=1S/C15H14N4OS2/c20-14(18-10-4-5-12-11(6-10)17-8-21-12)19-15-16-7-13(22-15)9-2-1-3-9/h4-9H,1-3H2,(H2,16,18,19,20)
InChIKeyQUDGETOHLPZYJU-UHFFFAOYSA-N
XLogP4.66
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.44
LogP ≤ 54.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(1,3-benzothiazol-5-yl)-3-(5-cyclobutyl-1,3-thiazol-2-yl)urea?
The IUPAC name of 1-(1,3-benzothiazol-5-yl)-3-(5-cyclobutyl-1,3-thiazol-2-yl)urea (CID 22731379) is 1-(1,3-benzothiazol-5-yl)-3-(5-cyclobutyl-1,3-thiazol-2-yl)urea.
What is the SMILES notation for 1-(1,3-benzothiazol-5-yl)-3-(5-cyclobutyl-1,3-thiazol-2-yl)urea?
The canonical SMILES for 1-(1,3-benzothiazol-5-yl)-3-(5-cyclobutyl-1,3-thiazol-2-yl)urea is O=C(Nc1ccc2scnc2c1)Nc1ncc(C2CCC2)s1.
What is the InChIKey of 1-(1,3-benzothiazol-5-yl)-3-(5-cyclobutyl-1,3-thiazol-2-yl)urea?
The InChIKey is QUDGETOHLPZYJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4OS2/c20-14(18-10-4-5-12-11(6-10)17-8-21-12)19-15-16-7-13(22-15)9-2-1-3-9/h4-9H,1-3H2,(H2,16,18,19,20).
What are the key properties of 1-(1,3-benzothiazol-5-yl)-3-(5-cyclobutyl-1,3-thiazol-2-yl)urea?
1-(1,3-benzothiazol-5-yl)-3-(5-cyclobutyl-1,3-thiazol-2-yl)urea has a molecular weight of 330.44 g/mol, XLogP of 4.66, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-benzothiazol-5-yl)-3-(5-cyclobutyl-1,3-thiazol-2-yl)urea is sourced from PubChem (CID 22731379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).