2-(1,3-benzoxazol-2-ylsulfanyl)-N-(4-methyl-1,3-benzothiazol-2-yl)acetamide

C17H13N3O2S2 — CID 1289925

IUPAC2-(1,3-benzoxazol-2-ylsulfanyl)-N-(4-methyl-1,3-benzothiazol-2-yl)acetamide
SMILESCc1cccc2sc(NC(=O)CSc3nc4ccccc4o3)nc12
InChIInChI=1S/C17H13N3O2S2/c1-10-5-4-8-13-15(10)20-16(24-13)19-14(21)9-23-17-18-11-6-2-3-7-12(11)22-17/h2-8H,9H2,1H3,(H,19,20,21)
InChIKeyJZWIOWWNXFXENU-UHFFFAOYSA-N
MW355.44 g/mol
LogP4.48
Rot. Bonds4

About 2-(1,3-benzoxazol-2-ylsulfanyl)-N-(4-methyl-1,3-benzothiazol-2-yl)acetamide

2-(1,3-benzoxazol-2-ylsulfanyl)-N-(4-methyl-1,3-benzothiazol-2-yl)acetamide (PubChem CID 1289925) has the molecular formula C17H13N3O2S2 and a molecular weight of 355.44 g/mol. Its IUPAC name is 2-(1,3-benzoxazol-2-ylsulfanyl)-N-(4-methyl-1,3-benzothiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(1,3-benzoxazol-2-ylsulfanyl)-N-(4-methyl-1,3-benzothiazol-2-yl)acetamide
PubChem CID1289925
Molecular FormulaC17H13N3O2S2
Molecular Weight355.44 g/mol
Exact Mass355.04
IUPAC Name2-(1,3-benzoxazol-2-ylsulfanyl)-N-(4-methyl-1,3-benzothiazol-2-yl)acetamide
SMILESCc1cccc2sc(NC(=O)CSc3nc4ccccc4o3)nc12
InChIInChI=1S/C17H13N3O2S2/c1-10-5-4-8-13-15(10)20-16(24-13)19-14(21)9-23-17-18-11-6-2-3-7-12(11)22-17/h2-8H,9H2,1H3,(H,19,20,21)
InChIKeyJZWIOWWNXFXENU-UHFFFAOYSA-N
XLogP4.48
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzoxazol-2-ylsulfanyl)-N-(4-methyl-1,3-benzothiazol-2-yl)acetamide?
The IUPAC name of 2-(1,3-benzoxazol-2-ylsulfanyl)-N-(4-methyl-1,3-benzothiazol-2-yl)acetamide (CID 1289925) is 2-(1,3-benzoxazol-2-ylsulfanyl)-N-(4-methyl-1,3-benzothiazol-2-yl)acetamide.
What is the SMILES notation for 2-(1,3-benzoxazol-2-ylsulfanyl)-N-(4-methyl-1,3-benzothiazol-2-yl)acetamide?
The canonical SMILES for 2-(1,3-benzoxazol-2-ylsulfanyl)-N-(4-methyl-1,3-benzothiazol-2-yl)acetamide is Cc1cccc2sc(NC(=O)CSc3nc4ccccc4o3)nc12.
What is the InChIKey of 2-(1,3-benzoxazol-2-ylsulfanyl)-N-(4-methyl-1,3-benzothiazol-2-yl)acetamide?
The InChIKey is JZWIOWWNXFXENU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N3O2S2/c1-10-5-4-8-13-15(10)20-16(24-13)19-14(21)9-23-17-18-11-6-2-3-7-12(11)22-17/h2-8H,9H2,1H3,(H,19,20,21).
What are the key properties of 2-(1,3-benzoxazol-2-ylsulfanyl)-N-(4-methyl-1,3-benzothiazol-2-yl)acetamide?
2-(1,3-benzoxazol-2-ylsulfanyl)-N-(4-methyl-1,3-benzothiazol-2-yl)acetamide has a molecular weight of 355.44 g/mol, XLogP of 4.48, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzoxazol-2-ylsulfanyl)-N-(4-methyl-1,3-benzothiazol-2-yl)acetamide is sourced from PubChem (CID 1289925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).