tert-butyl 2-(5-amino-1,3,4-thiadiazol-2-yl)pyrrolidine-1-carboxylate

C11H18N4O2S — CID 139893826

IUPACtert-butyl 2-(5-amino-1,3,4-thiadiazol-2-yl)pyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCC1c1nnc(N)s1
InChIInChI=1S/C11H18N4O2S/c1-11(2,3)17-10(16)15-6-4-5-7(15)8-13-14-9(12)18-8/h7H,4-6H2,1-3H3,(H2,12,14)
InChIKeySALAWRPJMBQIJH-UHFFFAOYSA-N
MW270.36 g/mol
LogP2.19
Rot. Bonds1

About tert-butyl 2-(5-amino-1,3,4-thiadiazol-2-yl)pyrrolidine-1-carboxylate

tert-butyl 2-(5-amino-1,3,4-thiadiazol-2-yl)pyrrolidine-1-carboxylate (PubChem CID 139893826) has the molecular formula C11H18N4O2S and a molecular weight of 270.36 g/mol. Its IUPAC name is tert-butyl 2-(5-amino-1,3,4-thiadiazol-2-yl)pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-(5-amino-1,3,4-thiadiazol-2-yl)pyrrolidine-1-carboxylate
PubChem CID139893826
Molecular FormulaC11H18N4O2S
Molecular Weight270.36 g/mol
Exact Mass270.12
IUPAC Nametert-butyl 2-(5-amino-1,3,4-thiadiazol-2-yl)pyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCC1c1nnc(N)s1
InChIInChI=1S/C11H18N4O2S/c1-11(2,3)17-10(16)15-6-4-5-7(15)8-13-14-9(12)18-8/h7H,4-6H2,1-3H3,(H2,12,14)
InChIKeySALAWRPJMBQIJH-UHFFFAOYSA-N
XLogP2.19
TPSA81.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.36
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

tert-butyl (2S)-2-(5-acetyl-1,3,4-thiadiazol-2-yl)pyrrolidine-1-carboxylate;methane;5-[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]-1,3,4-thiadiazole-2-carboxylic acid;sulfane;hydrate
CID 160925372
tert-butyl (2S)-2-(5-amino-1,3,4-oxadiazol-2-yl)pyrrolidine-1-carboxylate
CID 97057062
tert-butyl (2R)-2-[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]pyrrolidine-1-carboxylate
CID 101323143
tert-butyl 2-[5-(benzylsulfonylamino)-1,3,4-thiadiazol-2-yl]pyrrolidine-1-carboxylate
CID 139893814
tert-butyl (2S)-2-(3-methyl-1,2-thiazol-5-yl)pyrrolidine-1-carboxylate
CID 10084409
tert-butyl 2-(4-phenyl-1,3-thiazol-2-yl)piperidine-1-carboxylate
CID 67357840
tert-butyl (5aR,9aR)-2-amino-5,5a,7,8,9,9a-hexahydro-4H-[1,3]thiazolo[4,5-f]quinoline-6-carboxylate
CID 15065276
3-bromo-2-methylaniline;tert-butyl (2S)-2-[5-[2-(3-bromo-2-methylphenyl)acetyl]-1,3,4-thiadiazol-2-yl]pyrrolidine-1-carboxylate;5-[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]-1,3,4-thiadiazole-2-carboxylic acid
CID 165077317
tert-butyl 2-(5,6-dihydro-4H-1,3-thiazin-2-yl)pyrrolidine-1-carboxylate
CID 102455285
tert-butyl 2-(4-carbamoylphenyl)pyrrolidine-1-carboxylate
CID 170590736
tert-butyl (2R)-2-(2-aminophenyl)pyrrolidine-1-carboxylate
CID 34178068
tert-butyl (2S)-2-(3-amino-1H-pyrazol-5-yl)pyrrolidine-1-carboxylate
CID 73424849

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-(5-amino-1,3,4-thiadiazol-2-yl)pyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl 2-(5-amino-1,3,4-thiadiazol-2-yl)pyrrolidine-1-carboxylate (CID 139893826) is tert-butyl 2-(5-amino-1,3,4-thiadiazol-2-yl)pyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl 2-(5-amino-1,3,4-thiadiazol-2-yl)pyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl 2-(5-amino-1,3,4-thiadiazol-2-yl)pyrrolidine-1-carboxylate is CC(C)(C)OC(=O)N1CCCC1c1nnc(N)s1.
What is the InChIKey of tert-butyl 2-(5-amino-1,3,4-thiadiazol-2-yl)pyrrolidine-1-carboxylate?
The InChIKey is SALAWRPJMBQIJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O2S/c1-11(2,3)17-10(16)15-6-4-5-7(15)8-13-14-9(12)18-8/h7H,4-6H2,1-3H3,(H2,12,14).
What are the key properties of tert-butyl 2-(5-amino-1,3,4-thiadiazol-2-yl)pyrrolidine-1-carboxylate?
tert-butyl 2-(5-amino-1,3,4-thiadiazol-2-yl)pyrrolidine-1-carboxylate has a molecular weight of 270.36 g/mol, XLogP of 2.19, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-(5-amino-1,3,4-thiadiazol-2-yl)pyrrolidine-1-carboxylate is sourced from PubChem (CID 139893826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).