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

C5H4ClNOS — CID 21163669

IUPAC2-(1,3-thiazol-2-yl)acetyl chloride
SMILESO=C(Cl)Cc1nccs1
InChIInChI=1S/C5H4ClNOS/c6-4(8)3-5-7-1-2-9-5/h1-2H,3H2
InChIKeyZWIJMPZKDGKPFN-UHFFFAOYSA-N
MW161.61 g/mol
LogP1.45
Rot. Bonds2

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

2-(1,3-thiazol-2-yl)acetyl chloride (PubChem CID 21163669) has the molecular formula C5H4ClNOS and a molecular weight of 161.61 g/mol. Its IUPAC name is 2-(1,3-thiazol-2-yl)acetyl chloride.

Molecular Properties

Compound Name2-(1,3-thiazol-2-yl)acetyl chloride
PubChem CID21163669
Molecular FormulaC5H4ClNOS
Molecular Weight161.61 g/mol
Exact Mass160.97
IUPAC Name2-(1,3-thiazol-2-yl)acetyl chloride
SMILESO=C(Cl)Cc1nccs1
InChIInChI=1S/C5H4ClNOS/c6-4(8)3-5-7-1-2-9-5/h1-2H,3H2
InChIKeyZWIJMPZKDGKPFN-UHFFFAOYSA-N
XLogP1.45
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.61
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

CID 2795211
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CID 73994900
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CID 13032466
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CID 19875792
CID 19875792
CID 112574142
CID 112574142
CID 175429249
CID 175429249
CID 22498777
CID 22498777
CID 79824224
CID 79824224
CID 112574685
CID 112574685
CID 10441835
CID 10441835
CID 23179914
CID 23179914
CID 45121703
CID 45121703

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-thiazol-2-yl)acetyl chloride?
The IUPAC name of 2-(1,3-thiazol-2-yl)acetyl chloride (CID 21163669) is 2-(1,3-thiazol-2-yl)acetyl chloride.
What is the SMILES notation for 2-(1,3-thiazol-2-yl)acetyl chloride?
The canonical SMILES for 2-(1,3-thiazol-2-yl)acetyl chloride is O=C(Cl)Cc1nccs1.
What is the InChIKey of 2-(1,3-thiazol-2-yl)acetyl chloride?
The InChIKey is ZWIJMPZKDGKPFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4ClNOS/c6-4(8)3-5-7-1-2-9-5/h1-2H,3H2.
What are the key properties of 2-(1,3-thiazol-2-yl)acetyl chloride?
2-(1,3-thiazol-2-yl)acetyl chloride has a molecular weight of 161.61 g/mol, XLogP of 1.45, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-thiazol-2-yl)acetyl chloride is sourced from PubChem (CID 21163669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).