3-ethyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]pyrrolidine-3-carboxamide

C13H22N4OS — CID 103826076

IUPAC3-ethyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]pyrrolidine-3-carboxamide
SMILESCCC1(C(=O)Nc2nnc(CC(C)C)s2)CCNC1
InChIInChI=1S/C13H22N4OS/c1-4-13(5-6-14-8-13)11(18)15-12-17-16-10(19-12)7-9(2)3/h9,14H,4-8H2,1-3H3,(H,15,17,18)
InChIKeyIUQWDUNWVQFMGA-UHFFFAOYSA-N
MW282.41 g/mol
LogP2.06
Rot. Bonds5

About 3-ethyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]pyrrolidine-3-carboxamide

3-ethyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]pyrrolidine-3-carboxamide (PubChem CID 103826076) has the molecular formula C13H22N4OS and a molecular weight of 282.41 g/mol. Its IUPAC name is 3-ethyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name3-ethyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]pyrrolidine-3-carboxamide
PubChem CID103826076
Molecular FormulaC13H22N4OS
Molecular Weight282.41 g/mol
Exact Mass282.15
IUPAC Name3-ethyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]pyrrolidine-3-carboxamide
SMILESCCC1(C(=O)Nc2nnc(CC(C)C)s2)CCNC1
InChIInChI=1S/C13H22N4OS/c1-4-13(5-6-14-8-13)11(18)15-12-17-16-10(19-12)7-9(2)3/h9,14H,4-8H2,1-3H3,(H,15,17,18)
InChIKeyIUQWDUNWVQFMGA-UHFFFAOYSA-N
XLogP2.06
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-ethyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]pyrrolidine-3-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

3-methyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]piperidine-3-carboxamide
CID 103821976
1-(aminomethyl)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]cyclobutane-1-carboxamide
CID 106261056
3-ethyl-N-(1,3,4-thiadiazol-2-yl)pyrrolidine-3-carboxamide
CID 63138876
2,2-dichloro-1-methyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]cyclopropane-1-carboxamide
CID 51298157
3-ethyl-N-(5-methyl-1,3-thiazol-2-yl)pyrrolidine-3-carboxamide
CID 63140977
N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]propanamide
CID 825378
2,2-dimethyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]cyclopropane-1-carboxamide
CID 138992387
2-(azetidin-3-yl)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]propanamide
CID 114165511
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride
CID 120616725
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-methylpiperidine-3-carboxamide;hydrochloride
CID 119943678
N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-1-phenylcyclopropane-1-carboxamide
CID 29456239
N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]cyclopropanecarboxamide
CID 9450377

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]pyrrolidine-3-carboxamide?
The IUPAC name of 3-ethyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]pyrrolidine-3-carboxamide (CID 103826076) is 3-ethyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]pyrrolidine-3-carboxamide.
What is the SMILES notation for 3-ethyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]pyrrolidine-3-carboxamide?
The canonical SMILES for 3-ethyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]pyrrolidine-3-carboxamide is CCC1(C(=O)Nc2nnc(CC(C)C)s2)CCNC1.
What is the InChIKey of 3-ethyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]pyrrolidine-3-carboxamide?
The InChIKey is IUQWDUNWVQFMGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4OS/c1-4-13(5-6-14-8-13)11(18)15-12-17-16-10(19-12)7-9(2)3/h9,14H,4-8H2,1-3H3,(H,15,17,18).
What are the key properties of 3-ethyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]pyrrolidine-3-carboxamide?
3-ethyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]pyrrolidine-3-carboxamide has a molecular weight of 282.41 g/mol, XLogP of 2.06, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 103826076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).