4-oxo-4-pyrrolidin-1-yl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]butanamide

C11H13F3N4O2S — CID 663967

IUPAC4-oxo-4-pyrrolidin-1-yl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]butanamide
SMILESO=C(CCC(=O)N1CCCC1)Nc1nnc(C(F)(F)F)s1
InChIInChI=1S/C11H13F3N4O2S/c12-11(13,14)9-16-17-10(21-9)15-7(19)3-4-8(20)18-5-1-2-6-18/h1-6H2,(H,15,17,19)
InChIKeyRUUFOGODMQNDSA-UHFFFAOYSA-N
MW322.31 g/mol
LogP1.90
Rot. Bonds4

About 4-oxo-4-pyrrolidin-1-yl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]butanamide

4-oxo-4-pyrrolidin-1-yl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]butanamide (PubChem CID 663967) has the molecular formula C11H13F3N4O2S and a molecular weight of 322.31 g/mol. Its IUPAC name is 4-oxo-4-pyrrolidin-1-yl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]butanamide.

Molecular Properties

Compound Name4-oxo-4-pyrrolidin-1-yl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]butanamide
PubChem CID663967
Molecular FormulaC11H13F3N4O2S
Molecular Weight322.31 g/mol
Exact Mass322.07
IUPAC Name4-oxo-4-pyrrolidin-1-yl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]butanamide
SMILESO=C(CCC(=O)N1CCCC1)Nc1nnc(C(F)(F)F)s1
InChIInChI=1S/C11H13F3N4O2S/c12-11(13,14)9-16-17-10(21-9)15-7(19)3-4-8(20)18-5-1-2-6-18/h1-6H2,(H,15,17,19)
InChIKeyRUUFOGODMQNDSA-UHFFFAOYSA-N
XLogP1.90
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.31
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-oxo-4-pyrrolidin-1-yl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]butanamide?
The IUPAC name of 4-oxo-4-pyrrolidin-1-yl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]butanamide (CID 663967) is 4-oxo-4-pyrrolidin-1-yl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]butanamide.
What is the SMILES notation for 4-oxo-4-pyrrolidin-1-yl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]butanamide?
The canonical SMILES for 4-oxo-4-pyrrolidin-1-yl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]butanamide is O=C(CCC(=O)N1CCCC1)Nc1nnc(C(F)(F)F)s1.
What is the InChIKey of 4-oxo-4-pyrrolidin-1-yl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]butanamide?
The InChIKey is RUUFOGODMQNDSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N4O2S/c12-11(13,14)9-16-17-10(21-9)15-7(19)3-4-8(20)18-5-1-2-6-18/h1-6H2,(H,15,17,19).
What are the key properties of 4-oxo-4-pyrrolidin-1-yl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]butanamide?
4-oxo-4-pyrrolidin-1-yl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]butanamide has a molecular weight of 322.31 g/mol, XLogP of 1.90, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-4-pyrrolidin-1-yl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]butanamide is sourced from PubChem (CID 663967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).