2-[6-(cyclobutylamino)-1,3-benzothiazol-2-yl]-1,3-thiazol-4-one

C14H13N3OS2 — CID 122164597

IUPAC2-[6-(cyclobutylamino)-1,3-benzothiazol-2-yl]-1,3-thiazol-4-one
SMILESO=C1CSC(c2nc3ccc(NC4CCC4)cc3s2)=N1
InChIInChI=1S/C14H13N3OS2/c18-12-7-19-13(17-12)14-16-10-5-4-9(6-11(10)20-14)15-8-2-1-3-8/h4-6,8,15H,1-3,7H2
InChIKeyRQMFMWBWCNBUOD-UHFFFAOYSA-N
MW303.41 g/mol
LogP3.28
Rot. Bonds3

About 2-[6-(cyclobutylamino)-1,3-benzothiazol-2-yl]-1,3-thiazol-4-one

2-[6-(cyclobutylamino)-1,3-benzothiazol-2-yl]-1,3-thiazol-4-one (PubChem CID 122164597) has the molecular formula C14H13N3OS2 and a molecular weight of 303.41 g/mol. Its IUPAC name is 2-[6-(cyclobutylamino)-1,3-benzothiazol-2-yl]-1,3-thiazol-4-one.

Molecular Properties

Compound Name2-[6-(cyclobutylamino)-1,3-benzothiazol-2-yl]-1,3-thiazol-4-one
PubChem CID122164597
Molecular FormulaC14H13N3OS2
Molecular Weight303.41 g/mol
Exact Mass303.05
IUPAC Name2-[6-(cyclobutylamino)-1,3-benzothiazol-2-yl]-1,3-thiazol-4-one
SMILESO=C1CSC(c2nc3ccc(NC4CCC4)cc3s2)=N1
InChIInChI=1S/C14H13N3OS2/c18-12-7-19-13(17-12)14-16-10-5-4-9(6-11(10)20-14)15-8-2-1-3-8/h4-6,8,15H,1-3,7H2
InChIKeyRQMFMWBWCNBUOD-UHFFFAOYSA-N
XLogP3.28
TPSA54.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[6-(cyclobutylamino)-1,3-benzothiazol-2-yl]-1,3-thiazol-4-one?
The IUPAC name of 2-[6-(cyclobutylamino)-1,3-benzothiazol-2-yl]-1,3-thiazol-4-one (CID 122164597) is 2-[6-(cyclobutylamino)-1,3-benzothiazol-2-yl]-1,3-thiazol-4-one.
What is the SMILES notation for 2-[6-(cyclobutylamino)-1,3-benzothiazol-2-yl]-1,3-thiazol-4-one?
The canonical SMILES for 2-[6-(cyclobutylamino)-1,3-benzothiazol-2-yl]-1,3-thiazol-4-one is O=C1CSC(c2nc3ccc(NC4CCC4)cc3s2)=N1.
What is the InChIKey of 2-[6-(cyclobutylamino)-1,3-benzothiazol-2-yl]-1,3-thiazol-4-one?
The InChIKey is RQMFMWBWCNBUOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3OS2/c18-12-7-19-13(17-12)14-16-10-5-4-9(6-11(10)20-14)15-8-2-1-3-8/h4-6,8,15H,1-3,7H2.
What are the key properties of 2-[6-(cyclobutylamino)-1,3-benzothiazol-2-yl]-1,3-thiazol-4-one?
2-[6-(cyclobutylamino)-1,3-benzothiazol-2-yl]-1,3-thiazol-4-one has a molecular weight of 303.41 g/mol, XLogP of 3.28, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(cyclobutylamino)-1,3-benzothiazol-2-yl]-1,3-thiazol-4-one is sourced from PubChem (CID 122164597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).