4-(1-chloroethyl)-5-methylthiadiazole

C5H7ClN2S — CID 12913706

IUPAC4-(1-chloroethyl)-5-methylthiadiazole
SMILESCc1snnc1C(C)Cl
InChIInChI=1S/C5H7ClN2S/c1-3(6)5-4(2)9-8-7-5/h3H,1-2H3
InChIKeyDDTFMSMGLMGZJE-UHFFFAOYSA-N
MW162.65 g/mol
LogP2.15
Rot. Bonds1

About 4-(1-chloroethyl)-5-methylthiadiazole

4-(1-chloroethyl)-5-methylthiadiazole (PubChem CID 12913706) has the molecular formula C5H7ClN2S and a molecular weight of 162.65 g/mol. Its IUPAC name is 4-(1-chloroethyl)-5-methylthiadiazole.

Molecular Properties

Compound Name4-(1-chloroethyl)-5-methylthiadiazole
PubChem CID12913706
Molecular FormulaC5H7ClN2S
Molecular Weight162.65 g/mol
Exact Mass162.00
IUPAC Name4-(1-chloroethyl)-5-methylthiadiazole
SMILESCc1snnc1C(C)Cl
InChIInChI=1S/C5H7ClN2S/c1-3(6)5-4(2)9-8-7-5/h3H,1-2H3
InChIKeyDDTFMSMGLMGZJE-UHFFFAOYSA-N
XLogP2.15
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.65
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(1-chloroethyl)-5-methylthiadiazole?
The IUPAC name of 4-(1-chloroethyl)-5-methylthiadiazole (CID 12913706) is 4-(1-chloroethyl)-5-methylthiadiazole.
What is the SMILES notation for 4-(1-chloroethyl)-5-methylthiadiazole?
The canonical SMILES for 4-(1-chloroethyl)-5-methylthiadiazole is Cc1snnc1C(C)Cl.
What is the InChIKey of 4-(1-chloroethyl)-5-methylthiadiazole?
The InChIKey is DDTFMSMGLMGZJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7ClN2S/c1-3(6)5-4(2)9-8-7-5/h3H,1-2H3.
What are the key properties of 4-(1-chloroethyl)-5-methylthiadiazole?
4-(1-chloroethyl)-5-methylthiadiazole has a molecular weight of 162.65 g/mol, XLogP of 2.15, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-chloroethyl)-5-methylthiadiazole is sourced from PubChem (CID 12913706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).