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

C5H5ClN2OS — CID 4684134

IUPACN-(5-chloro-1,3-thiazol-2-yl)acetamide
SMILESCC(=O)Nc1ncc(Cl)s1
InChIInChI=1S/C5H5ClN2OS/c1-3(9)8-5-7-2-4(6)10-5/h2H,1H3,(H,7,8,9)
InChIKeyYLRXYIGXXMJPOP-UHFFFAOYSA-N
MW176.63 g/mol
LogP1.75
Rot. Bonds1

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

N-(5-chloro-1,3-thiazol-2-yl)acetamide (PubChem CID 4684134) has the molecular formula C5H5ClN2OS and a molecular weight of 176.63 g/mol. Its IUPAC name is N-(5-chloro-1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound NameN-(5-chloro-1,3-thiazol-2-yl)acetamide
PubChem CID4684134
Molecular FormulaC5H5ClN2OS
Molecular Weight176.63 g/mol
Exact Mass175.98
IUPAC NameN-(5-chloro-1,3-thiazol-2-yl)acetamide
SMILESCC(=O)Nc1ncc(Cl)s1
InChIInChI=1S/C5H5ClN2OS/c1-3(9)8-5-7-2-4(6)10-5/h2H,1H3,(H,7,8,9)
InChIKeyYLRXYIGXXMJPOP-UHFFFAOYSA-N
XLogP1.75
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.63
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-1,3-thiazol-2-yl)acetamide?
The IUPAC name of N-(5-chloro-1,3-thiazol-2-yl)acetamide (CID 4684134) is N-(5-chloro-1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for N-(5-chloro-1,3-thiazol-2-yl)acetamide?
The canonical SMILES for N-(5-chloro-1,3-thiazol-2-yl)acetamide is CC(=O)Nc1ncc(Cl)s1.
What is the InChIKey of N-(5-chloro-1,3-thiazol-2-yl)acetamide?
The InChIKey is YLRXYIGXXMJPOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5ClN2OS/c1-3(9)8-5-7-2-4(6)10-5/h2H,1H3,(H,7,8,9).
What are the key properties of N-(5-chloro-1,3-thiazol-2-yl)acetamide?
N-(5-chloro-1,3-thiazol-2-yl)acetamide has a molecular weight of 176.63 g/mol, XLogP of 1.75, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 4684134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).