(2S)-N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-1-propylpyrrolidine-2-carboxamide

C14H24N4OS — CID 67953357

IUPAC(2S)-N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-1-propylpyrrolidine-2-carboxamide
SMILESCCCN1CCC[C@H]1C(=O)Nc1nnc(C(C)(C)C)s1
InChIInChI=1S/C14H24N4OS/c1-5-8-18-9-6-7-10(18)11(19)15-13-17-16-12(20-13)14(2,3)4/h10H,5-9H2,1-4H3,(H,15,17,19)/t10-/m0/s1
InChIKeyQHRZTZALUBNNLY-JTQLQIEISA-N
MW296.44 g/mol
LogP2.65
Rot. Bonds4

About (2S)-N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-1-propylpyrrolidine-2-carboxamide

(2S)-N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-1-propylpyrrolidine-2-carboxamide (PubChem CID 67953357) has the molecular formula C14H24N4OS and a molecular weight of 296.44 g/mol. Its IUPAC name is (2S)-N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-1-propylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-1-propylpyrrolidine-2-carboxamide
PubChem CID67953357
Molecular FormulaC14H24N4OS
Molecular Weight296.44 g/mol
Exact Mass296.17
IUPAC Name(2S)-N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-1-propylpyrrolidine-2-carboxamide
SMILESCCCN1CCC[C@H]1C(=O)Nc1nnc(C(C)(C)C)s1
InChIInChI=1S/C14H24N4OS/c1-5-8-18-9-6-7-10(18)11(19)15-13-17-16-12(20-13)14(2,3)4/h10H,5-9H2,1-4H3,(H,15,17,19)/t10-/m0/s1
InChIKeyQHRZTZALUBNNLY-JTQLQIEISA-N
XLogP2.65
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.44
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-1-propylpyrrolidine-2-carboxamide?
The IUPAC name of (2S)-N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-1-propylpyrrolidine-2-carboxamide (CID 67953357) is (2S)-N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-1-propylpyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-1-propylpyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-1-propylpyrrolidine-2-carboxamide is CCCN1CCC[C@H]1C(=O)Nc1nnc(C(C)(C)C)s1.
What is the InChIKey of (2S)-N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-1-propylpyrrolidine-2-carboxamide?
The InChIKey is QHRZTZALUBNNLY-JTQLQIEISA-N. The full InChI is InChI=1S/C14H24N4OS/c1-5-8-18-9-6-7-10(18)11(19)15-13-17-16-12(20-13)14(2,3)4/h10H,5-9H2,1-4H3,(H,15,17,19)/t10-/m0/s1.
What are the key properties of (2S)-N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-1-propylpyrrolidine-2-carboxamide?
(2S)-N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-1-propylpyrrolidine-2-carboxamide has a molecular weight of 296.44 g/mol, XLogP of 2.65, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-1-propylpyrrolidine-2-carboxamide is sourced from PubChem (CID 67953357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).