2-(1,2-benzoxazol-3-yl)-N-(2-methyl-1,3-benzothiazol-6-yl)acetamide

C17H13N3O2S — CID 8927486

IUPAC2-(1,2-benzoxazol-3-yl)-N-(2-methyl-1,3-benzothiazol-6-yl)acetamide
SMILESCc1nc2ccc(NC(=O)Cc3noc4ccccc34)cc2s1
InChIInChI=1S/C17H13N3O2S/c1-10-18-13-7-6-11(8-16(13)23-10)19-17(21)9-14-12-4-2-3-5-15(12)22-20-14/h2-8H,9H2,1H3,(H,19,21)
InChIKeyJGWCJQGHXROPIE-UHFFFAOYSA-N
MW323.38 g/mol
LogP3.93
Rot. Bonds3

About 2-(1,2-benzoxazol-3-yl)-N-(2-methyl-1,3-benzothiazol-6-yl)acetamide

2-(1,2-benzoxazol-3-yl)-N-(2-methyl-1,3-benzothiazol-6-yl)acetamide (PubChem CID 8927486) has the molecular formula C17H13N3O2S and a molecular weight of 323.38 g/mol. Its IUPAC name is 2-(1,2-benzoxazol-3-yl)-N-(2-methyl-1,3-benzothiazol-6-yl)acetamide.

Molecular Properties

Compound Name2-(1,2-benzoxazol-3-yl)-N-(2-methyl-1,3-benzothiazol-6-yl)acetamide
PubChem CID8927486
Molecular FormulaC17H13N3O2S
Molecular Weight323.38 g/mol
Exact Mass323.07
IUPAC Name2-(1,2-benzoxazol-3-yl)-N-(2-methyl-1,3-benzothiazol-6-yl)acetamide
SMILESCc1nc2ccc(NC(=O)Cc3noc4ccccc34)cc2s1
InChIInChI=1S/C17H13N3O2S/c1-10-18-13-7-6-11(8-16(13)23-10)19-17(21)9-14-12-4-2-3-5-15(12)22-20-14/h2-8H,9H2,1H3,(H,19,21)
InChIKeyJGWCJQGHXROPIE-UHFFFAOYSA-N
XLogP3.93
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.38
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(1,2-benzoxazol-3-yl)-N-(2-methyl-1,3-benzothiazol-6-yl)acetamide?
The IUPAC name of 2-(1,2-benzoxazol-3-yl)-N-(2-methyl-1,3-benzothiazol-6-yl)acetamide (CID 8927486) is 2-(1,2-benzoxazol-3-yl)-N-(2-methyl-1,3-benzothiazol-6-yl)acetamide.
What is the SMILES notation for 2-(1,2-benzoxazol-3-yl)-N-(2-methyl-1,3-benzothiazol-6-yl)acetamide?
The canonical SMILES for 2-(1,2-benzoxazol-3-yl)-N-(2-methyl-1,3-benzothiazol-6-yl)acetamide is Cc1nc2ccc(NC(=O)Cc3noc4ccccc34)cc2s1.
What is the InChIKey of 2-(1,2-benzoxazol-3-yl)-N-(2-methyl-1,3-benzothiazol-6-yl)acetamide?
The InChIKey is JGWCJQGHXROPIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N3O2S/c1-10-18-13-7-6-11(8-16(13)23-10)19-17(21)9-14-12-4-2-3-5-15(12)22-20-14/h2-8H,9H2,1H3,(H,19,21).
What are the key properties of 2-(1,2-benzoxazol-3-yl)-N-(2-methyl-1,3-benzothiazol-6-yl)acetamide?
2-(1,2-benzoxazol-3-yl)-N-(2-methyl-1,3-benzothiazol-6-yl)acetamide has a molecular weight of 323.38 g/mol, XLogP of 3.93, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2-benzoxazol-3-yl)-N-(2-methyl-1,3-benzothiazol-6-yl)acetamide is sourced from PubChem (CID 8927486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).