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

C15H24N4OS — CID 67953352

IUPAC(2S)-N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-1-cyclobutylpyrrolidine-2-carboxamide
SMILESCC(C)(C)c1nnc(NC(=O)[C@@H]2CCCN2C2CCC2)s1
InChIInChI=1S/C15H24N4OS/c1-15(2,3)13-17-18-14(21-13)16-12(20)11-8-5-9-19(11)10-6-4-7-10/h10-11H,4-9H2,1-3H3,(H,16,18,20)/t11-/m0/s1
InChIKeyOQAZZJQNBWQPOQ-NSHDSACASA-N
MW308.45 g/mol
LogP2.79
Rot. Bonds3

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

(2S)-N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-1-cyclobutylpyrrolidine-2-carboxamide (PubChem CID 67953352) has the molecular formula C15H24N4OS and a molecular weight of 308.45 g/mol. Its IUPAC name is (2S)-N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-1-cyclobutylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-1-cyclobutylpyrrolidine-2-carboxamide
PubChem CID67953352
Molecular FormulaC15H24N4OS
Molecular Weight308.45 g/mol
Exact Mass308.17
IUPAC Name(2S)-N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-1-cyclobutylpyrrolidine-2-carboxamide
SMILESCC(C)(C)c1nnc(NC(=O)[C@@H]2CCCN2C2CCC2)s1
InChIInChI=1S/C15H24N4OS/c1-15(2,3)13-17-18-14(21-13)16-12(20)11-8-5-9-19(11)10-6-4-7-10/h10-11H,4-9H2,1-3H3,(H,16,18,20)/t11-/m0/s1
InChIKeyOQAZZJQNBWQPOQ-NSHDSACASA-N
XLogP2.79
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.45
LogP ≤ 52.79
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-cyclobutylpyrrolidine-2-carboxamide?
The IUPAC name of (2S)-N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-1-cyclobutylpyrrolidine-2-carboxamide (CID 67953352) is (2S)-N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-1-cyclobutylpyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-1-cyclobutylpyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-1-cyclobutylpyrrolidine-2-carboxamide is CC(C)(C)c1nnc(NC(=O)[C@@H]2CCCN2C2CCC2)s1.
What is the InChIKey of (2S)-N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-1-cyclobutylpyrrolidine-2-carboxamide?
The InChIKey is OQAZZJQNBWQPOQ-NSHDSACASA-N. The full InChI is InChI=1S/C15H24N4OS/c1-15(2,3)13-17-18-14(21-13)16-12(20)11-8-5-9-19(11)10-6-4-7-10/h10-11H,4-9H2,1-3H3,(H,16,18,20)/t11-/m0/s1.
What are the key properties of (2S)-N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-1-cyclobutylpyrrolidine-2-carboxamide?
(2S)-N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-1-cyclobutylpyrrolidine-2-carboxamide has a molecular weight of 308.45 g/mol, XLogP of 2.79, 3 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-cyclobutylpyrrolidine-2-carboxamide is sourced from PubChem (CID 67953352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).