N-(1,3-benzothiazol-2-yl)-2-(1,3-benzoxazol-2-ylsulfanyl)acetamide

C16H11N3O2S2 — CID 654435

IUPACN-(1,3-benzothiazol-2-yl)-2-(1,3-benzoxazol-2-ylsulfanyl)acetamide
SMILESO=C(CSc1nc2ccccc2o1)Nc1nc2ccccc2s1
InChIInChI=1S/C16H11N3O2S2/c20-14(19-15-17-11-6-2-4-8-13(11)23-15)9-22-16-18-10-5-1-3-7-12(10)21-16/h1-8H,9H2,(H,17,19,20)
InChIKeyFKSUXNIVSDBFES-UHFFFAOYSA-N
MW341.42 g/mol
LogP4.17
Rot. Bonds4

About N-(1,3-benzothiazol-2-yl)-2-(1,3-benzoxazol-2-ylsulfanyl)acetamide

N-(1,3-benzothiazol-2-yl)-2-(1,3-benzoxazol-2-ylsulfanyl)acetamide (PubChem CID 654435) has the molecular formula C16H11N3O2S2 and a molecular weight of 341.42 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-yl)-2-(1,3-benzoxazol-2-ylsulfanyl)acetamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-2-yl)-2-(1,3-benzoxazol-2-ylsulfanyl)acetamide
PubChem CID654435
Molecular FormulaC16H11N3O2S2
Molecular Weight341.42 g/mol
Exact Mass341.03
IUPAC NameN-(1,3-benzothiazol-2-yl)-2-(1,3-benzoxazol-2-ylsulfanyl)acetamide
SMILESO=C(CSc1nc2ccccc2o1)Nc1nc2ccccc2s1
InChIInChI=1S/C16H11N3O2S2/c20-14(19-15-17-11-6-2-4-8-13(11)23-15)9-22-16-18-10-5-1-3-7-12(10)21-16/h1-8H,9H2,(H,17,19,20)
InChIKeyFKSUXNIVSDBFES-UHFFFAOYSA-N
XLogP4.17
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.42
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-2-yl)-2-(1,3-benzoxazol-2-ylsulfanyl)acetamide?
The IUPAC name of N-(1,3-benzothiazol-2-yl)-2-(1,3-benzoxazol-2-ylsulfanyl)acetamide (CID 654435) is N-(1,3-benzothiazol-2-yl)-2-(1,3-benzoxazol-2-ylsulfanyl)acetamide.
What is the SMILES notation for N-(1,3-benzothiazol-2-yl)-2-(1,3-benzoxazol-2-ylsulfanyl)acetamide?
The canonical SMILES for N-(1,3-benzothiazol-2-yl)-2-(1,3-benzoxazol-2-ylsulfanyl)acetamide is O=C(CSc1nc2ccccc2o1)Nc1nc2ccccc2s1.
What is the InChIKey of N-(1,3-benzothiazol-2-yl)-2-(1,3-benzoxazol-2-ylsulfanyl)acetamide?
The InChIKey is FKSUXNIVSDBFES-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11N3O2S2/c20-14(19-15-17-11-6-2-4-8-13(11)23-15)9-22-16-18-10-5-1-3-7-12(10)21-16/h1-8H,9H2,(H,17,19,20).
What are the key properties of N-(1,3-benzothiazol-2-yl)-2-(1,3-benzoxazol-2-ylsulfanyl)acetamide?
N-(1,3-benzothiazol-2-yl)-2-(1,3-benzoxazol-2-ylsulfanyl)acetamide has a molecular weight of 341.42 g/mol, XLogP of 4.17, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzothiazol-2-yl)-2-(1,3-benzoxazol-2-ylsulfanyl)acetamide is sourced from PubChem (CID 654435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).