2-(1,3-benzothiazol-2-ylsulfanyl)-N-(5-methyl-1,2-oxazol-3-yl)butanamide

C15H15N3O2S2 — CID 3147269

IUPAC2-(1,3-benzothiazol-2-ylsulfanyl)-N-(5-methyl-1,2-oxazol-3-yl)butanamide
SMILESCCC(Sc1nc2ccccc2s1)C(=O)Nc1cc(C)on1
InChIInChI=1S/C15H15N3O2S2/c1-3-11(14(19)17-13-8-9(2)20-18-13)21-15-16-10-6-4-5-7-12(10)22-15/h4-8,11H,3H2,1-2H3,(H,17,18,19)
InChIKeyWHKUIROSKGQCLP-UHFFFAOYSA-N
MW333.44 g/mol
LogP4.10
Rot. Bonds5

About 2-(1,3-benzothiazol-2-ylsulfanyl)-N-(5-methyl-1,2-oxazol-3-yl)butanamide

2-(1,3-benzothiazol-2-ylsulfanyl)-N-(5-methyl-1,2-oxazol-3-yl)butanamide (PubChem CID 3147269) has the molecular formula C15H15N3O2S2 and a molecular weight of 333.44 g/mol. Its IUPAC name is 2-(1,3-benzothiazol-2-ylsulfanyl)-N-(5-methyl-1,2-oxazol-3-yl)butanamide.

Molecular Properties

Compound Name2-(1,3-benzothiazol-2-ylsulfanyl)-N-(5-methyl-1,2-oxazol-3-yl)butanamide
PubChem CID3147269
Molecular FormulaC15H15N3O2S2
Molecular Weight333.44 g/mol
Exact Mass333.06
IUPAC Name2-(1,3-benzothiazol-2-ylsulfanyl)-N-(5-methyl-1,2-oxazol-3-yl)butanamide
SMILESCCC(Sc1nc2ccccc2s1)C(=O)Nc1cc(C)on1
InChIInChI=1S/C15H15N3O2S2/c1-3-11(14(19)17-13-8-9(2)20-18-13)21-15-16-10-6-4-5-7-12(10)22-15/h4-8,11H,3H2,1-2H3,(H,17,18,19)
InChIKeyWHKUIROSKGQCLP-UHFFFAOYSA-N
XLogP4.10
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.44
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzothiazol-2-ylsulfanyl)-N-(5-methyl-1,2-oxazol-3-yl)butanamide?
The IUPAC name of 2-(1,3-benzothiazol-2-ylsulfanyl)-N-(5-methyl-1,2-oxazol-3-yl)butanamide (CID 3147269) is 2-(1,3-benzothiazol-2-ylsulfanyl)-N-(5-methyl-1,2-oxazol-3-yl)butanamide.
What is the SMILES notation for 2-(1,3-benzothiazol-2-ylsulfanyl)-N-(5-methyl-1,2-oxazol-3-yl)butanamide?
The canonical SMILES for 2-(1,3-benzothiazol-2-ylsulfanyl)-N-(5-methyl-1,2-oxazol-3-yl)butanamide is CCC(Sc1nc2ccccc2s1)C(=O)Nc1cc(C)on1.
What is the InChIKey of 2-(1,3-benzothiazol-2-ylsulfanyl)-N-(5-methyl-1,2-oxazol-3-yl)butanamide?
The InChIKey is WHKUIROSKGQCLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O2S2/c1-3-11(14(19)17-13-8-9(2)20-18-13)21-15-16-10-6-4-5-7-12(10)22-15/h4-8,11H,3H2,1-2H3,(H,17,18,19).
What are the key properties of 2-(1,3-benzothiazol-2-ylsulfanyl)-N-(5-methyl-1,2-oxazol-3-yl)butanamide?
2-(1,3-benzothiazol-2-ylsulfanyl)-N-(5-methyl-1,2-oxazol-3-yl)butanamide has a molecular weight of 333.44 g/mol, XLogP of 4.10, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzothiazol-2-ylsulfanyl)-N-(5-methyl-1,2-oxazol-3-yl)butanamide is sourced from PubChem (CID 3147269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).