2-amino-2-(thiadiazol-4-yl)acetyl chloride

C4H4ClN3OS — CID 54382570

IUPAC2-amino-2-(thiadiazol-4-yl)acetyl chloride
SMILESNC(C(=O)Cl)c1csnn1
InChIInChI=1S/C4H4ClN3OS/c5-4(9)3(6)2-1-10-8-7-2/h1,3H,6H2
InChIKeyVAYQPWJSDGPEHN-UHFFFAOYSA-N
MW177.62 g/mol
LogP0.30
Rot. Bonds2

About 2-amino-2-(thiadiazol-4-yl)acetyl chloride

2-amino-2-(thiadiazol-4-yl)acetyl chloride (PubChem CID 54382570) has the molecular formula C4H4ClN3OS and a molecular weight of 177.62 g/mol. Its IUPAC name is 2-amino-2-(thiadiazol-4-yl)acetyl chloride.

Molecular Properties

Compound Name2-amino-2-(thiadiazol-4-yl)acetyl chloride
PubChem CID54382570
Molecular FormulaC4H4ClN3OS
Molecular Weight177.62 g/mol
Exact Mass176.98
IUPAC Name2-amino-2-(thiadiazol-4-yl)acetyl chloride
SMILESNC(C(=O)Cl)c1csnn1
InChIInChI=1S/C4H4ClN3OS/c5-4(9)3(6)2-1-10-8-7-2/h1,3H,6H2
InChIKeyVAYQPWJSDGPEHN-UHFFFAOYSA-N
XLogP0.30
TPSA68.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.62
LogP ≤ 50.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-amino-2-(thiadiazol-4-yl)acetyl chloride?
The IUPAC name of 2-amino-2-(thiadiazol-4-yl)acetyl chloride (CID 54382570) is 2-amino-2-(thiadiazol-4-yl)acetyl chloride.
What is the SMILES notation for 2-amino-2-(thiadiazol-4-yl)acetyl chloride?
The canonical SMILES for 2-amino-2-(thiadiazol-4-yl)acetyl chloride is NC(C(=O)Cl)c1csnn1.
What is the InChIKey of 2-amino-2-(thiadiazol-4-yl)acetyl chloride?
The InChIKey is VAYQPWJSDGPEHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4ClN3OS/c5-4(9)3(6)2-1-10-8-7-2/h1,3H,6H2.
What are the key properties of 2-amino-2-(thiadiazol-4-yl)acetyl chloride?
2-amino-2-(thiadiazol-4-yl)acetyl chloride has a molecular weight of 177.62 g/mol, XLogP of 0.30, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(thiadiazol-4-yl)acetyl chloride is sourced from PubChem (CID 54382570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).