N-[2-(2-chloroethoxy)ethyl]-4-propylthiadiazole-5-carboxamide

C10H16ClN3O2S — CID 114297929

IUPACN-[2-(2-chloroethoxy)ethyl]-4-propylthiadiazole-5-carboxamide
SMILESCCCc1nnsc1C(=O)NCCOCCCl
InChIInChI=1S/C10H16ClN3O2S/c1-2-3-8-9(17-14-13-8)10(15)12-5-7-16-6-4-11/h2-7H2,1H3,(H,12,15)
InChIKeyRNQPYRUISHGPQX-UHFFFAOYSA-N
MW277.78 g/mol
LogP1.48
Rot. Bonds8

About N-[2-(2-chloroethoxy)ethyl]-4-propylthiadiazole-5-carboxamide

N-[2-(2-chloroethoxy)ethyl]-4-propylthiadiazole-5-carboxamide (PubChem CID 114297929) has the molecular formula C10H16ClN3O2S and a molecular weight of 277.78 g/mol. Its IUPAC name is N-[2-(2-chloroethoxy)ethyl]-4-propylthiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-(2-chloroethoxy)ethyl]-4-propylthiadiazole-5-carboxamide
PubChem CID114297929
Molecular FormulaC10H16ClN3O2S
Molecular Weight277.78 g/mol
Exact Mass277.07
IUPAC NameN-[2-(2-chloroethoxy)ethyl]-4-propylthiadiazole-5-carboxamide
SMILESCCCc1nnsc1C(=O)NCCOCCCl
InChIInChI=1S/C10H16ClN3O2S/c1-2-3-8-9(17-14-13-8)10(15)12-5-7-16-6-4-11/h2-7H2,1H3,(H,12,15)
InChIKeyRNQPYRUISHGPQX-UHFFFAOYSA-N
XLogP1.48
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.78
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[2-(2-chloroethoxy)ethyl]-4-propylthiadiazole-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-chloroethoxy)ethyl]-4-propylthiadiazole-5-carboxamide?
The IUPAC name of N-[2-(2-chloroethoxy)ethyl]-4-propylthiadiazole-5-carboxamide (CID 114297929) is N-[2-(2-chloroethoxy)ethyl]-4-propylthiadiazole-5-carboxamide.
What is the SMILES notation for N-[2-(2-chloroethoxy)ethyl]-4-propylthiadiazole-5-carboxamide?
The canonical SMILES for N-[2-(2-chloroethoxy)ethyl]-4-propylthiadiazole-5-carboxamide is CCCc1nnsc1C(=O)NCCOCCCl.
What is the InChIKey of N-[2-(2-chloroethoxy)ethyl]-4-propylthiadiazole-5-carboxamide?
The InChIKey is RNQPYRUISHGPQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16ClN3O2S/c1-2-3-8-9(17-14-13-8)10(15)12-5-7-16-6-4-11/h2-7H2,1H3,(H,12,15).
What are the key properties of N-[2-(2-chloroethoxy)ethyl]-4-propylthiadiazole-5-carboxamide?
N-[2-(2-chloroethoxy)ethyl]-4-propylthiadiazole-5-carboxamide has a molecular weight of 277.78 g/mol, XLogP of 1.48, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-chloroethoxy)ethyl]-4-propylthiadiazole-5-carboxamide is sourced from PubChem (CID 114297929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).