2-cyano-N-(5-phenyl-1,3-thiazol-2-yl)acetamide

C12H9N3OS — CID 146190140

IUPAC2-cyano-N-(5-phenyl-1,3-thiazol-2-yl)acetamide
SMILESN#CCC(=O)Nc1ncc(-c2ccccc2)s1
InChIInChI=1S/C12H9N3OS/c13-7-6-11(16)15-12-14-8-10(17-12)9-4-2-1-3-5-9/h1-5,8H,6H2,(H,14,15,16)
InChIKeyNYKHAGAXQJJHJN-UHFFFAOYSA-N
MW243.29 g/mol
LogP2.66
Rot. Bonds3

About 2-cyano-N-(5-phenyl-1,3-thiazol-2-yl)acetamide

2-cyano-N-(5-phenyl-1,3-thiazol-2-yl)acetamide (PubChem CID 146190140) has the molecular formula C12H9N3OS and a molecular weight of 243.29 g/mol. Its IUPAC name is 2-cyano-N-(5-phenyl-1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-cyano-N-(5-phenyl-1,3-thiazol-2-yl)acetamide
PubChem CID146190140
Molecular FormulaC12H9N3OS
Molecular Weight243.29 g/mol
Exact Mass243.05
IUPAC Name2-cyano-N-(5-phenyl-1,3-thiazol-2-yl)acetamide
SMILESN#CCC(=O)Nc1ncc(-c2ccccc2)s1
InChIInChI=1S/C12H9N3OS/c13-7-6-11(16)15-12-14-8-10(17-12)9-4-2-1-3-5-9/h1-5,8H,6H2,(H,14,15,16)
InChIKeyNYKHAGAXQJJHJN-UHFFFAOYSA-N
XLogP2.66
TPSA65.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.29
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-(5-phenyl-1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-cyano-N-(5-phenyl-1,3-thiazol-2-yl)acetamide (CID 146190140) is 2-cyano-N-(5-phenyl-1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-cyano-N-(5-phenyl-1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-cyano-N-(5-phenyl-1,3-thiazol-2-yl)acetamide is N#CCC(=O)Nc1ncc(-c2ccccc2)s1.
What is the InChIKey of 2-cyano-N-(5-phenyl-1,3-thiazol-2-yl)acetamide?
The InChIKey is NYKHAGAXQJJHJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N3OS/c13-7-6-11(16)15-12-14-8-10(17-12)9-4-2-1-3-5-9/h1-5,8H,6H2,(H,14,15,16).
What are the key properties of 2-cyano-N-(5-phenyl-1,3-thiazol-2-yl)acetamide?
2-cyano-N-(5-phenyl-1,3-thiazol-2-yl)acetamide has a molecular weight of 243.29 g/mol, XLogP of 2.66, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-(5-phenyl-1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 146190140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).