2-(2-amino-1,3-thiazol-4-yl)acetyl chloride

C5H5ClN2OS — CID 14563059

IUPAC2-(2-amino-1,3-thiazol-4-yl)acetyl chloride
SMILESNc1nc(CC(=O)Cl)cs1
InChIInChI=1S/C5H5ClN2OS/c6-4(9)1-3-2-10-5(7)8-3/h2H,1H2,(H2,7,8)
InChIKeyZNZDUIYPDSAAJJ-UHFFFAOYSA-N
MW176.63 g/mol
LogP1.03
Rot. Bonds2

About 2-(2-amino-1,3-thiazol-4-yl)acetyl chloride

2-(2-amino-1,3-thiazol-4-yl)acetyl chloride (PubChem CID 14563059) has the molecular formula C5H5ClN2OS and a molecular weight of 176.63 g/mol. Its IUPAC name is 2-(2-amino-1,3-thiazol-4-yl)acetyl chloride.

Molecular Properties

Compound Name2-(2-amino-1,3-thiazol-4-yl)acetyl chloride
PubChem CID14563059
Molecular FormulaC5H5ClN2OS
Molecular Weight176.63 g/mol
Exact Mass175.98
IUPAC Name2-(2-amino-1,3-thiazol-4-yl)acetyl chloride
SMILESNc1nc(CC(=O)Cl)cs1
InChIInChI=1S/C5H5ClN2OS/c6-4(9)1-3-2-10-5(7)8-3/h2H,1H2,(H2,7,8)
InChIKeyZNZDUIYPDSAAJJ-UHFFFAOYSA-N
XLogP1.03
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.63
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-1,3-thiazol-4-yl)acetyl chloride?
The IUPAC name of 2-(2-amino-1,3-thiazol-4-yl)acetyl chloride (CID 14563059) is 2-(2-amino-1,3-thiazol-4-yl)acetyl chloride.
What is the SMILES notation for 2-(2-amino-1,3-thiazol-4-yl)acetyl chloride?
The canonical SMILES for 2-(2-amino-1,3-thiazol-4-yl)acetyl chloride is Nc1nc(CC(=O)Cl)cs1.
What is the InChIKey of 2-(2-amino-1,3-thiazol-4-yl)acetyl chloride?
The InChIKey is ZNZDUIYPDSAAJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5ClN2OS/c6-4(9)1-3-2-10-5(7)8-3/h2H,1H2,(H2,7,8).
What are the key properties of 2-(2-amino-1,3-thiazol-4-yl)acetyl chloride?
2-(2-amino-1,3-thiazol-4-yl)acetyl chloride has a molecular weight of 176.63 g/mol, XLogP of 1.03, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-1,3-thiazol-4-yl)acetyl chloride is sourced from PubChem (CID 14563059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).