N-[5-(4-ethoxyphenyl)-1,3,4-thiadiazol-2-yl]-N-ethylcyclobutanecarboxamide

C17H21N3O2S — CID 650155

IUPACN-[5-(4-ethoxyphenyl)-1,3,4-thiadiazol-2-yl]-N-ethylcyclobutanecarboxamide
SMILESCCOc1ccc(-c2nnc(N(CC)C(=O)C3CCC3)s2)cc1
InChIInChI=1S/C17H21N3O2S/c1-3-20(16(21)13-6-5-7-13)17-19-18-15(23-17)12-8-10-14(11-9-12)22-4-2/h8-11,13H,3-7H2,1-2H3
InChIKeyCCKOSFAJXZHVDT-UHFFFAOYSA-N
MW331.44 g/mol
LogP3.76
Rot. Bonds6

About N-[5-(4-ethoxyphenyl)-1,3,4-thiadiazol-2-yl]-N-ethylcyclobutanecarboxamide

N-[5-(4-ethoxyphenyl)-1,3,4-thiadiazol-2-yl]-N-ethylcyclobutanecarboxamide (PubChem CID 650155) has the molecular formula C17H21N3O2S and a molecular weight of 331.44 g/mol. Its IUPAC name is N-[5-(4-ethoxyphenyl)-1,3,4-thiadiazol-2-yl]-N-ethylcyclobutanecarboxamide.

Molecular Properties

Compound NameN-[5-(4-ethoxyphenyl)-1,3,4-thiadiazol-2-yl]-N-ethylcyclobutanecarboxamide
PubChem CID650155
Molecular FormulaC17H21N3O2S
Molecular Weight331.44 g/mol
Exact Mass331.14
IUPAC NameN-[5-(4-ethoxyphenyl)-1,3,4-thiadiazol-2-yl]-N-ethylcyclobutanecarboxamide
SMILESCCOc1ccc(-c2nnc(N(CC)C(=O)C3CCC3)s2)cc1
InChIInChI=1S/C17H21N3O2S/c1-3-20(16(21)13-6-5-7-13)17-19-18-15(23-17)12-8-10-14(11-9-12)22-4-2/h8-11,13H,3-7H2,1-2H3
InChIKeyCCKOSFAJXZHVDT-UHFFFAOYSA-N
XLogP3.76
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.44
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-[5-(4-ethoxyphenyl)-1,3,4-thiadiazol-2-yl]-N-ethylcyclobutanecarboxamide 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-[5-(4-ethoxyphenyl)-1,3,4-thiadiazol-2-yl]-N-ethylcyclobutanecarboxamide?
The IUPAC name of N-[5-(4-ethoxyphenyl)-1,3,4-thiadiazol-2-yl]-N-ethylcyclobutanecarboxamide (CID 650155) is N-[5-(4-ethoxyphenyl)-1,3,4-thiadiazol-2-yl]-N-ethylcyclobutanecarboxamide.
What is the SMILES notation for N-[5-(4-ethoxyphenyl)-1,3,4-thiadiazol-2-yl]-N-ethylcyclobutanecarboxamide?
The canonical SMILES for N-[5-(4-ethoxyphenyl)-1,3,4-thiadiazol-2-yl]-N-ethylcyclobutanecarboxamide is CCOc1ccc(-c2nnc(N(CC)C(=O)C3CCC3)s2)cc1.
What is the InChIKey of N-[5-(4-ethoxyphenyl)-1,3,4-thiadiazol-2-yl]-N-ethylcyclobutanecarboxamide?
The InChIKey is CCKOSFAJXZHVDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2S/c1-3-20(16(21)13-6-5-7-13)17-19-18-15(23-17)12-8-10-14(11-9-12)22-4-2/h8-11,13H,3-7H2,1-2H3.
What are the key properties of N-[5-(4-ethoxyphenyl)-1,3,4-thiadiazol-2-yl]-N-ethylcyclobutanecarboxamide?
N-[5-(4-ethoxyphenyl)-1,3,4-thiadiazol-2-yl]-N-ethylcyclobutanecarboxamide has a molecular weight of 331.44 g/mol, XLogP of 3.76, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(4-ethoxyphenyl)-1,3,4-thiadiazol-2-yl]-N-ethylcyclobutanecarboxamide is sourced from PubChem (CID 650155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).