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

C14H24N4OS — CID 67953358

IUPAC(2S)-N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-1-propan-2-ylpyrrolidine-2-carboxamide
SMILESCC(C)N1CCC[C@H]1C(=O)Nc1nnc(C(C)(C)C)s1
InChIInChI=1S/C14H24N4OS/c1-9(2)18-8-6-7-10(18)11(19)15-13-17-16-12(20-13)14(3,4)5/h9-10H,6-8H2,1-5H3,(H,15,17,19)/t10-/m0/s1
InChIKeyWKLVWZZXFWYKAC-JTQLQIEISA-N
MW296.44 g/mol
LogP2.65
Rot. Bonds3

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

(2S)-N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-1-propan-2-ylpyrrolidine-2-carboxamide (PubChem CID 67953358) 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-propan-2-ylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-1-propan-2-ylpyrrolidine-2-carboxamide
PubChem CID67953358
Molecular FormulaC14H24N4OS
Molecular Weight296.44 g/mol
Exact Mass296.17
IUPAC Name(2S)-N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-1-propan-2-ylpyrrolidine-2-carboxamide
SMILESCC(C)N1CCC[C@H]1C(=O)Nc1nnc(C(C)(C)C)s1
InChIInChI=1S/C14H24N4OS/c1-9(2)18-8-6-7-10(18)11(19)15-13-17-16-12(20-13)14(3,4)5/h9-10H,6-8H2,1-5H3,(H,15,17,19)/t10-/m0/s1
InChIKeyWKLVWZZXFWYKAC-JTQLQIEISA-N
XLogP2.65
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
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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Related Compounds

(2S)-N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-1-cyclobutylpyrrolidine-2-carboxamide
CID 67953352
(2S)-N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-1-propylpyrrolidine-2-carboxamide
CID 67953357
(2R)-N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-1-[(4-fluorophenyl)methyl]pyrrolidine-2-carboxamide
CID 95786845
tert-butyl (2S)-2-[(5-tert-butyl-1,3,4-thiadiazol-2-yl)carbamoyl]azetidine-1-carboxylate
CID 67953726
1-propan-2-yl-N-pyridin-2-ylpyrrolidine-2-carboxamide
CID 59706248
N-methyl-1-propan-2-ylpyrrolidine-2-carboxamide
CID 21355300
(5-tert-butyl-1,3,4-thiadiazol-2-yl)carbamic acid
CID 68796251
1-[(2R)-1-propan-2-ylpyrrolidin-2-yl]ethanone
CID 59945997
3-N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-1-N-phenylpiperidine-1,3-dicarboxamide
CID 55978635
1-[2-[(5-tert-butyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]-N-methylpiperidine-3-carboxamide
CID 126789529
N-[5-(2-hydroxypropan-2-yl)-1,3,4-thiadiazol-2-yl]-1-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide
CID 155950021
N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide;hydrochloride
CID 119279901

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-1-propan-2-ylpyrrolidine-2-carboxamide?
The IUPAC name of (2S)-N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-1-propan-2-ylpyrrolidine-2-carboxamide (CID 67953358) is (2S)-N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-1-propan-2-ylpyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-1-propan-2-ylpyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-1-propan-2-ylpyrrolidine-2-carboxamide is CC(C)N1CCC[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-propan-2-ylpyrrolidine-2-carboxamide?
The InChIKey is WKLVWZZXFWYKAC-JTQLQIEISA-N. The full InChI is InChI=1S/C14H24N4OS/c1-9(2)18-8-6-7-10(18)11(19)15-13-17-16-12(20-13)14(3,4)5/h9-10H,6-8H2,1-5H3,(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-propan-2-ylpyrrolidine-2-carboxamide?
(2S)-N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-1-propan-2-ylpyrrolidine-2-carboxamide has a molecular weight of 296.44 g/mol, XLogP of 2.65, 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-propan-2-ylpyrrolidine-2-carboxamide is sourced from PubChem (CID 67953358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).