2-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)butanamide

C17H19N3O3S2 — CID 2928059

IUPAC2-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)butanamide
SMILESCCOc1ccc2nc(SC(CC)C(=O)Nc3cc(C)on3)sc2c1
InChIInChI=1S/C17H19N3O3S2/c1-4-13(16(21)19-15-8-10(3)23-20-15)24-17-18-12-7-6-11(22-5-2)9-14(12)25-17/h6-9,13H,4-5H2,1-3H3,(H,19,20,21)
InChIKeyZWEJDNXKPIBLJF-UHFFFAOYSA-N
MW377.49 g/mol
LogP4.50
Rot. Bonds7

About 2-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)butanamide

2-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)butanamide (PubChem CID 2928059) has the molecular formula C17H19N3O3S2 and a molecular weight of 377.49 g/mol. Its IUPAC name is 2-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)butanamide.

Molecular Properties

Compound Name2-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)butanamide
PubChem CID2928059
Molecular FormulaC17H19N3O3S2
Molecular Weight377.49 g/mol
Exact Mass377.09
IUPAC Name2-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)butanamide
SMILESCCOc1ccc2nc(SC(CC)C(=O)Nc3cc(C)on3)sc2c1
InChIInChI=1S/C17H19N3O3S2/c1-4-13(16(21)19-15-8-10(3)23-20-15)24-17-18-12-7-6-11(22-5-2)9-14(12)25-17/h6-9,13H,4-5H2,1-3H3,(H,19,20,21)
InChIKeyZWEJDNXKPIBLJF-UHFFFAOYSA-N
XLogP4.50
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)butanamide?
The IUPAC name of 2-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)butanamide (CID 2928059) is 2-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)butanamide.
What is the SMILES notation for 2-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)butanamide?
The canonical SMILES for 2-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)butanamide is CCOc1ccc2nc(SC(CC)C(=O)Nc3cc(C)on3)sc2c1.
What is the InChIKey of 2-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)butanamide?
The InChIKey is ZWEJDNXKPIBLJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O3S2/c1-4-13(16(21)19-15-8-10(3)23-20-15)24-17-18-12-7-6-11(22-5-2)9-14(12)25-17/h6-9,13H,4-5H2,1-3H3,(H,19,20,21).
What are the key properties of 2-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)butanamide?
2-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)butanamide has a molecular weight of 377.49 g/mol, XLogP of 4.50, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)butanamide is sourced from PubChem (CID 2928059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).