4-ethyl-N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)thiadiazole-5-carboxamide

C11H14N6O2S — CID 102703524

IUPAC4-ethyl-N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)thiadiazole-5-carboxamide
SMILESCCc1nnsc1C(=O)Nc1nnc(C2CCCN2)o1
InChIInChI=1S/C11H14N6O2S/c1-2-6-8(20-17-14-6)9(18)13-11-16-15-10(19-11)7-4-3-5-12-7/h7,12H,2-5H2,1H3,(H,13,16,18)
InChIKeyREPMHOJIAVIQPB-UHFFFAOYSA-N
MW294.34 g/mol
LogP1.16
Rot. Bonds4

About 4-ethyl-N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)thiadiazole-5-carboxamide

4-ethyl-N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)thiadiazole-5-carboxamide (PubChem CID 102703524) has the molecular formula C11H14N6O2S and a molecular weight of 294.34 g/mol. Its IUPAC name is 4-ethyl-N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)thiadiazole-5-carboxamide.

Molecular Properties

Compound Name4-ethyl-N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)thiadiazole-5-carboxamide
PubChem CID102703524
Molecular FormulaC11H14N6O2S
Molecular Weight294.34 g/mol
Exact Mass294.09
IUPAC Name4-ethyl-N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)thiadiazole-5-carboxamide
SMILESCCc1nnsc1C(=O)Nc1nnc(C2CCCN2)o1
InChIInChI=1S/C11H14N6O2S/c1-2-6-8(20-17-14-6)9(18)13-11-16-15-10(19-11)7-4-3-5-12-7/h7,12H,2-5H2,1H3,(H,13,16,18)
InChIKeyREPMHOJIAVIQPB-UHFFFAOYSA-N
XLogP1.16
TPSA105.83 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.34
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

4-ethyl-N-(pyrrolidin-2-ylmethyl)thiadiazole-5-carboxamide;hydrochloride
CID 119510567
1-ethyl-3-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)urea
CID 102703600
1-ethyl-1-methyl-3-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)urea
CID 102703621
2,2-dimethyl-N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)butanamide
CID 102703341
2-ethoxy-N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)acetamide
CID 102703310
N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)bicyclo[3.1.0]hexane-3-carboxamide
CID 102703484
1,3,5-trimethyl-N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)pyrazole-4-carboxamide
CID 102703303
5-bromo-N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)thiophene-3-carboxamide
CID 107963749
3,6-dimethyl-N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)pyridazine-4-carboxamide
CID 102703292
3,4-dimethyl-N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)benzamide
CID 102703119
5-methyl-N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)-1H-pyrazole-4-carboxamide
CID 102703332
3-pyrrolidin-1-yl-N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)propanamide
CID 102703544

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)thiadiazole-5-carboxamide?
The IUPAC name of 4-ethyl-N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)thiadiazole-5-carboxamide (CID 102703524) is 4-ethyl-N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)thiadiazole-5-carboxamide.
What is the SMILES notation for 4-ethyl-N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)thiadiazole-5-carboxamide?
The canonical SMILES for 4-ethyl-N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)thiadiazole-5-carboxamide is CCc1nnsc1C(=O)Nc1nnc(C2CCCN2)o1.
What is the InChIKey of 4-ethyl-N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)thiadiazole-5-carboxamide?
The InChIKey is REPMHOJIAVIQPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N6O2S/c1-2-6-8(20-17-14-6)9(18)13-11-16-15-10(19-11)7-4-3-5-12-7/h7,12H,2-5H2,1H3,(H,13,16,18).
What are the key properties of 4-ethyl-N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)thiadiazole-5-carboxamide?
4-ethyl-N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)thiadiazole-5-carboxamide has a molecular weight of 294.34 g/mol, XLogP of 1.16, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)thiadiazole-5-carboxamide is sourced from PubChem (CID 102703524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).