2-(5-acetyl-4-chloro-1,3-thiazol-2-yl)acetamide

C7H7ClN2O2S — CID 171646378

IUPAC2-(5-acetyl-4-chloro-1,3-thiazol-2-yl)acetamide
SMILESCC(=O)c1sc(CC(N)=O)nc1Cl
InChIInChI=1S/C7H7ClN2O2S/c1-3(11)6-7(8)10-5(13-6)2-4(9)12/h2H2,1H3,(H2,9,12)
InChIKeyRECLIGCHFAJXDT-UHFFFAOYSA-N
MW218.66 g/mol
LogP1.03
Rot. Bonds3

About 2-(5-acetyl-4-chloro-1,3-thiazol-2-yl)acetamide

2-(5-acetyl-4-chloro-1,3-thiazol-2-yl)acetamide (PubChem CID 171646378) has the molecular formula C7H7ClN2O2S and a molecular weight of 218.66 g/mol. Its IUPAC name is 2-(5-acetyl-4-chloro-1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(5-acetyl-4-chloro-1,3-thiazol-2-yl)acetamide
PubChem CID171646378
Molecular FormulaC7H7ClN2O2S
Molecular Weight218.66 g/mol
Exact Mass217.99
IUPAC Name2-(5-acetyl-4-chloro-1,3-thiazol-2-yl)acetamide
SMILESCC(=O)c1sc(CC(N)=O)nc1Cl
InChIInChI=1S/C7H7ClN2O2S/c1-3(11)6-7(8)10-5(13-6)2-4(9)12/h2H2,1H3,(H2,9,12)
InChIKeyRECLIGCHFAJXDT-UHFFFAOYSA-N
XLogP1.03
TPSA73.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.66
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(5-acetyl-4-chloro-1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-(5-acetyl-4-chloro-1,3-thiazol-2-yl)acetamide (CID 171646378) is 2-(5-acetyl-4-chloro-1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-(5-acetyl-4-chloro-1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-(5-acetyl-4-chloro-1,3-thiazol-2-yl)acetamide is CC(=O)c1sc(CC(N)=O)nc1Cl.
What is the InChIKey of 2-(5-acetyl-4-chloro-1,3-thiazol-2-yl)acetamide?
The InChIKey is RECLIGCHFAJXDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7ClN2O2S/c1-3(11)6-7(8)10-5(13-6)2-4(9)12/h2H2,1H3,(H2,9,12).
What are the key properties of 2-(5-acetyl-4-chloro-1,3-thiazol-2-yl)acetamide?
2-(5-acetyl-4-chloro-1,3-thiazol-2-yl)acetamide has a molecular weight of 218.66 g/mol, XLogP of 1.03, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-acetyl-4-chloro-1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 171646378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).