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

C6H5N3OS — CID 20544504

IUPACN-(5-cyano-1,3-thiazol-2-yl)acetamide
SMILESCC(=O)Nc1ncc(C#N)s1
InChIInChI=1S/C6H5N3OS/c1-4(10)9-6-8-3-5(2-7)11-6/h3H,1H3,(H,8,9,10)
InChIKeySGMCVGSEMYGTQF-UHFFFAOYSA-N
MW167.19 g/mol
LogP0.97
Rot. Bonds1

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

N-(5-cyano-1,3-thiazol-2-yl)acetamide (PubChem CID 20544504) has the molecular formula C6H5N3OS and a molecular weight of 167.19 g/mol. Its IUPAC name is N-(5-cyano-1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound NameN-(5-cyano-1,3-thiazol-2-yl)acetamide
PubChem CID20544504
Molecular FormulaC6H5N3OS
Molecular Weight167.19 g/mol
Exact Mass167.02
IUPAC NameN-(5-cyano-1,3-thiazol-2-yl)acetamide
SMILESCC(=O)Nc1ncc(C#N)s1
InChIInChI=1S/C6H5N3OS/c1-4(10)9-6-8-3-5(2-7)11-6/h3H,1H3,(H,8,9,10)
InChIKeySGMCVGSEMYGTQF-UHFFFAOYSA-N
XLogP0.97
TPSA65.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.19
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(5-cyano-1,3-thiazol-2-yl)acetamide?
The IUPAC name of N-(5-cyano-1,3-thiazol-2-yl)acetamide (CID 20544504) is N-(5-cyano-1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for N-(5-cyano-1,3-thiazol-2-yl)acetamide?
The canonical SMILES for N-(5-cyano-1,3-thiazol-2-yl)acetamide is CC(=O)Nc1ncc(C#N)s1.
What is the InChIKey of N-(5-cyano-1,3-thiazol-2-yl)acetamide?
The InChIKey is SGMCVGSEMYGTQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5N3OS/c1-4(10)9-6-8-3-5(2-7)11-6/h3H,1H3,(H,8,9,10).
What are the key properties of N-(5-cyano-1,3-thiazol-2-yl)acetamide?
N-(5-cyano-1,3-thiazol-2-yl)acetamide has a molecular weight of 167.19 g/mol, XLogP of 0.97, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-cyano-1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 20544504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).