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

C17H13N3O2S — CID 8927463

IUPAC2-(1,2-benzoxazol-3-yl)-N-(3-methyl-1,3-benzothiazol-2-ylidene)acetamide
SMILESCn1/c(=N/C(=O)Cc2noc3ccccc23)sc2ccccc21
InChIInChI=1S/C17H13N3O2S/c1-20-13-7-3-5-9-15(13)23-17(20)18-16(21)10-12-11-6-2-4-8-14(11)22-19-12/h2-9H,10H2,1H3/b18-17-
InChIKeyGJBYEBKUXZOCTH-ZCXUNETKSA-N
MW323.38 g/mol
LogP3.05
Rot. Bonds2

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

2-(1,2-benzoxazol-3-yl)-N-(3-methyl-1,3-benzothiazol-2-ylidene)acetamide (PubChem CID 8927463) 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-(3-methyl-1,3-benzothiazol-2-ylidene)acetamide.

Molecular Properties

Compound Name2-(1,2-benzoxazol-3-yl)-N-(3-methyl-1,3-benzothiazol-2-ylidene)acetamide
PubChem CID8927463
Molecular FormulaC17H13N3O2S
Molecular Weight323.38 g/mol
Exact Mass323.07
IUPAC Name2-(1,2-benzoxazol-3-yl)-N-(3-methyl-1,3-benzothiazol-2-ylidene)acetamide
SMILESCn1/c(=N/C(=O)Cc2noc3ccccc23)sc2ccccc21
InChIInChI=1S/C17H13N3O2S/c1-20-13-7-3-5-9-15(13)23-17(20)18-16(21)10-12-11-6-2-4-8-14(11)22-19-12/h2-9H,10H2,1H3/b18-17-
InChIKeyGJBYEBKUXZOCTH-ZCXUNETKSA-N
XLogP3.05
TPSA60.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.38
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(1,2-benzoxazol-3-yl)-N-(3-methyl-1,3-benzothiazol-2-ylidene)acetamide?
The IUPAC name of 2-(1,2-benzoxazol-3-yl)-N-(3-methyl-1,3-benzothiazol-2-ylidene)acetamide (CID 8927463) is 2-(1,2-benzoxazol-3-yl)-N-(3-methyl-1,3-benzothiazol-2-ylidene)acetamide.
What is the SMILES notation for 2-(1,2-benzoxazol-3-yl)-N-(3-methyl-1,3-benzothiazol-2-ylidene)acetamide?
The canonical SMILES for 2-(1,2-benzoxazol-3-yl)-N-(3-methyl-1,3-benzothiazol-2-ylidene)acetamide is Cn1/c(=N/C(=O)Cc2noc3ccccc23)sc2ccccc21.
What is the InChIKey of 2-(1,2-benzoxazol-3-yl)-N-(3-methyl-1,3-benzothiazol-2-ylidene)acetamide?
The InChIKey is GJBYEBKUXZOCTH-ZCXUNETKSA-N. The full InChI is InChI=1S/C17H13N3O2S/c1-20-13-7-3-5-9-15(13)23-17(20)18-16(21)10-12-11-6-2-4-8-14(11)22-19-12/h2-9H,10H2,1H3/b18-17-.
What are the key properties of 2-(1,2-benzoxazol-3-yl)-N-(3-methyl-1,3-benzothiazol-2-ylidene)acetamide?
2-(1,2-benzoxazol-3-yl)-N-(3-methyl-1,3-benzothiazol-2-ylidene)acetamide has a molecular weight of 323.38 g/mol, XLogP of 3.05, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2-benzoxazol-3-yl)-N-(3-methyl-1,3-benzothiazol-2-ylidene)acetamide is sourced from PubChem (CID 8927463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).