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

C5H5ClN2OS — CID 11182947

IUPAC2-(4-chloro-1,3-thiazol-2-yl)acetamide
SMILESNC(=O)Cc1nc(Cl)cs1
InChIInChI=1S/C5H5ClN2OS/c6-3-2-10-5(8-3)1-4(7)9/h2H,1H2,(H2,7,9)
InChIKeyRAAUTQMCXSKUFV-UHFFFAOYSA-N
MW176.63 g/mol
LogP0.82
Rot. Bonds2

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

2-(4-chloro-1,3-thiazol-2-yl)acetamide (PubChem CID 11182947) has the molecular formula C5H5ClN2OS and a molecular weight of 176.63 g/mol. Its IUPAC name is 2-(4-chloro-1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(4-chloro-1,3-thiazol-2-yl)acetamide
PubChem CID11182947
Molecular FormulaC5H5ClN2OS
Molecular Weight176.63 g/mol
Exact Mass175.98
IUPAC Name2-(4-chloro-1,3-thiazol-2-yl)acetamide
SMILESNC(=O)Cc1nc(Cl)cs1
InChIInChI=1S/C5H5ClN2OS/c6-3-2-10-5(8-3)1-4(7)9/h2H,1H2,(H2,7,9)
InChIKeyRAAUTQMCXSKUFV-UHFFFAOYSA-N
XLogP0.82
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.63
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-(4-chloro-1,3-thiazol-2-yl)acetamide (CID 11182947) is 2-(4-chloro-1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-(4-chloro-1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-(4-chloro-1,3-thiazol-2-yl)acetamide is NC(=O)Cc1nc(Cl)cs1.
What is the InChIKey of 2-(4-chloro-1,3-thiazol-2-yl)acetamide?
The InChIKey is RAAUTQMCXSKUFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5ClN2OS/c6-3-2-10-5(8-3)1-4(7)9/h2H,1H2,(H2,7,9).
What are the key properties of 2-(4-chloro-1,3-thiazol-2-yl)acetamide?
2-(4-chloro-1,3-thiazol-2-yl)acetamide has a molecular weight of 176.63 g/mol, XLogP of 0.82, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 11182947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).