4-ethylthiadiazole-5-carbonyl chloride

C5H5ClN2OS — CID 18524959

IUPAC4-ethylthiadiazole-5-carbonyl chloride
SMILESCCc1nnsc1C(=O)Cl
InChIInChI=1S/C5H5ClN2OS/c1-2-3-4(5(6)9)10-8-7-3/h2H2,1H3
InChIKeyLDFUVWIMAFQDBW-UHFFFAOYSA-N
MW176.63 g/mol
LogP1.48
Rot. Bonds2

About 4-ethylthiadiazole-5-carbonyl chloride

4-ethylthiadiazole-5-carbonyl chloride (PubChem CID 18524959) has the molecular formula C5H5ClN2OS and a molecular weight of 176.63 g/mol. Its IUPAC name is 4-ethylthiadiazole-5-carbonyl chloride.

Molecular Properties

Compound Name4-ethylthiadiazole-5-carbonyl chloride
PubChem CID18524959
Molecular FormulaC5H5ClN2OS
Molecular Weight176.63 g/mol
Exact Mass175.98
IUPAC Name4-ethylthiadiazole-5-carbonyl chloride
SMILESCCc1nnsc1C(=O)Cl
InChIInChI=1S/C5H5ClN2OS/c1-2-3-4(5(6)9)10-8-7-3/h2H2,1H3
InChIKeyLDFUVWIMAFQDBW-UHFFFAOYSA-N
XLogP1.48
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.63
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-ethylthiadiazole-5-carboxamide
CID 45084470
tert-butylazanium;4-ethylthiadiazole-5-carboxylate
CID 18667662
N-(1-chloro-2-methylpropan-2-yl)-4-ethylthiadiazole-5-carboxamide
CID 114294992
1-(4-ethylthiadiazol-5-yl)-4,4,4-trifluorobutan-1-one
CID 105106889
4-ethyl-N-[2-(methylamino)ethyl]thiadiazole-5-carboxamide
CID 65210280
2-cyclopentyl-1-(4-ethylthiadiazol-5-yl)ethanone
CID 105092243
4-ethyl-N-(2-hydroxy-2-methylpropyl)-N-methylthiadiazole-5-carboxamide
CID 79382432
N-cyclopentyl-4-ethylthiadiazole-5-carboxamide
CID 51204913
4-ethyl-N-[3-(methylamino)propyl]thiadiazole-5-carboxamide
CID 65210223
4-ethyl-N-[2-(2-methylpropanoylamino)ethyl]thiadiazole-5-carboxamide
CID 24515338
N-[(2S)-1-aminopropan-2-yl]-4-ethylthiadiazole-5-carboxamide;hydrochloride
CID 120505502
N-[[1-(chloromethyl)cyclopropyl]methyl]-4-ethylthiadiazole-5-carboxamide
CID 115456007

Frequently Asked Questions

What is the IUPAC name of 4-ethylthiadiazole-5-carbonyl chloride?
The IUPAC name of 4-ethylthiadiazole-5-carbonyl chloride (CID 18524959) is 4-ethylthiadiazole-5-carbonyl chloride.
What is the SMILES notation for 4-ethylthiadiazole-5-carbonyl chloride?
The canonical SMILES for 4-ethylthiadiazole-5-carbonyl chloride is CCc1nnsc1C(=O)Cl.
What is the InChIKey of 4-ethylthiadiazole-5-carbonyl chloride?
The InChIKey is LDFUVWIMAFQDBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5ClN2OS/c1-2-3-4(5(6)9)10-8-7-3/h2H2,1H3.
What are the key properties of 4-ethylthiadiazole-5-carbonyl chloride?
4-ethylthiadiazole-5-carbonyl chloride has a molecular weight of 176.63 g/mol, XLogP of 1.48, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethylthiadiazole-5-carbonyl chloride is sourced from PubChem (CID 18524959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).