3-ethyl-N-(1,3,4-thiadiazol-2-yl)pyrrolidine-3-carboxamide

C9H14N4OS — CID 63138876

IUPAC3-ethyl-N-(1,3,4-thiadiazol-2-yl)pyrrolidine-3-carboxamide
SMILESCCC1(C(=O)Nc2nncs2)CCNC1
InChIInChI=1S/C9H14N4OS/c1-2-9(3-4-10-5-9)7(14)12-8-13-11-6-15-8/h6,10H,2-5H2,1H3,(H,12,13,14)
InChIKeyGXLLRIYTJNKISJ-UHFFFAOYSA-N
MW226.30 g/mol
LogP0.87
Rot. Bonds3

About 3-ethyl-N-(1,3,4-thiadiazol-2-yl)pyrrolidine-3-carboxamide

3-ethyl-N-(1,3,4-thiadiazol-2-yl)pyrrolidine-3-carboxamide (PubChem CID 63138876) has the molecular formula C9H14N4OS and a molecular weight of 226.30 g/mol. Its IUPAC name is 3-ethyl-N-(1,3,4-thiadiazol-2-yl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name3-ethyl-N-(1,3,4-thiadiazol-2-yl)pyrrolidine-3-carboxamide
PubChem CID63138876
Molecular FormulaC9H14N4OS
Molecular Weight226.30 g/mol
Exact Mass226.09
IUPAC Name3-ethyl-N-(1,3,4-thiadiazol-2-yl)pyrrolidine-3-carboxamide
SMILESCCC1(C(=O)Nc2nncs2)CCNC1
InChIInChI=1S/C9H14N4OS/c1-2-9(3-4-10-5-9)7(14)12-8-13-11-6-15-8/h6,10H,2-5H2,1H3,(H,12,13,14)
InChIKeyGXLLRIYTJNKISJ-UHFFFAOYSA-N
XLogP0.87
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.30
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-ethyl-N-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide
CID 63140720
3-ethyl-N-(5-methyl-1,3-thiazol-2-yl)pyrrolidine-3-carboxamide
CID 63140977
N-(4-acetyl-1,3-thiazol-2-yl)-3-ethylpiperidine-3-carboxamide
CID 64556117
3-ethyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]pyrrolidine-3-carboxamide
CID 103826076
N-(4-methyl-1,3-thiazol-2-yl)-3-propylpyrrolidine-3-carboxamide
CID 63138339
N-(4-cyclopropyl-1,3-thiazol-2-yl)-4-ethylpiperidine-4-carboxamide
CID 63129094
2-[2-[(3-ethylpyrrolidine-3-carbonyl)amino]phenyl]acetic acid
CID 63142475
3-ethyl-N-(1,2-oxazol-4-yl)pyrrolidine-3-carboxamide
CID 63142572
3-ethyl-N-(4-methoxyphenyl)pyrrolidine-3-carboxamide
CID 63140483
3-ethyl-N-(4-propylphenyl)pyrrolidine-3-carboxamide
CID 55166292
N-(4-propan-2-yl-1,3-thiazol-2-yl)-3-propylpyrrolidine-3-carboxamide
CID 63142538
N-(6-chloro-4-methyl-3-pyridinyl)-3-ethylpyrrolidine-3-carboxamide
CID 113286068

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N-(1,3,4-thiadiazol-2-yl)pyrrolidine-3-carboxamide?
The IUPAC name of 3-ethyl-N-(1,3,4-thiadiazol-2-yl)pyrrolidine-3-carboxamide (CID 63138876) is 3-ethyl-N-(1,3,4-thiadiazol-2-yl)pyrrolidine-3-carboxamide.
What is the SMILES notation for 3-ethyl-N-(1,3,4-thiadiazol-2-yl)pyrrolidine-3-carboxamide?
The canonical SMILES for 3-ethyl-N-(1,3,4-thiadiazol-2-yl)pyrrolidine-3-carboxamide is CCC1(C(=O)Nc2nncs2)CCNC1.
What is the InChIKey of 3-ethyl-N-(1,3,4-thiadiazol-2-yl)pyrrolidine-3-carboxamide?
The InChIKey is GXLLRIYTJNKISJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4OS/c1-2-9(3-4-10-5-9)7(14)12-8-13-11-6-15-8/h6,10H,2-5H2,1H3,(H,12,13,14).
What are the key properties of 3-ethyl-N-(1,3,4-thiadiazol-2-yl)pyrrolidine-3-carboxamide?
3-ethyl-N-(1,3,4-thiadiazol-2-yl)pyrrolidine-3-carboxamide has a molecular weight of 226.30 g/mol, XLogP of 0.87, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N-(1,3,4-thiadiazol-2-yl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 63138876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).