(2S)-2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-pyrrolidin-1-ylpropan-1-one

C9H14N4OS2 — CID 2481296

IUPAC(2S)-2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-pyrrolidin-1-ylpropan-1-one
SMILESC[C@H](Sc1nnc(N)s1)C(=O)N1CCCC1
InChIInChI=1S/C9H14N4OS2/c1-6(7(14)13-4-2-3-5-13)15-9-12-11-8(10)16-9/h6H,2-5H2,1H3,(H2,10,11)/t6-/m0/s1
InChIKeySXQLOIUOKJFCTE-LURJTMIESA-N
MW258.37 g/mol
LogP1.22
Rot. Bonds3

About (2S)-2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-pyrrolidin-1-ylpropan-1-one

(2S)-2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-pyrrolidin-1-ylpropan-1-one (PubChem CID 2481296) has the molecular formula C9H14N4OS2 and a molecular weight of 258.37 g/mol. Its IUPAC name is (2S)-2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-pyrrolidin-1-ylpropan-1-one.

Molecular Properties

Compound Name(2S)-2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-pyrrolidin-1-ylpropan-1-one
PubChem CID2481296
Molecular FormulaC9H14N4OS2
Molecular Weight258.37 g/mol
Exact Mass258.06
IUPAC Name(2S)-2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-pyrrolidin-1-ylpropan-1-one
SMILESC[C@H](Sc1nnc(N)s1)C(=O)N1CCCC1
InChIInChI=1S/C9H14N4OS2/c1-6(7(14)13-4-2-3-5-13)15-9-12-11-8(10)16-9/h6H,2-5H2,1H3,(H2,10,11)/t6-/m0/s1
InChIKeySXQLOIUOKJFCTE-LURJTMIESA-N
XLogP1.22
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.37
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (2S)-2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-pyrrolidin-1-ylpropan-1-one with MolForge

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Related Compounds

2-[(5-Amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-(piperidin-1-yl)ethanone
CID 2057116
N-[5-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyl-1,3,4-thiadiazol-2-yl]acetamide
CID 895815
5-[(2-Oxo-2-pyrrolidin-1-ylethyl)thio]-1,3,4-thiadiazol-2-amine
CID 558211
2-(5-Amino-[1,3,4]thiadiazol-2-ylsulfanyl)-N,N-diethyl-acetamide
CID 838722
2-[(5-Amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-pyrrolidin-1-ylpropan-1-one
CID 4883182
2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N,N-bis(3-methylbutyl)acetamide
CID 16266977
2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N,N-di(propan-2-yl)propanamide
CID 24243810
2-[(5-amino-1,3,4-thiadiazol-2-yl)thio]-N-[(1-tert-butyl-5-oxopyrrolidin-3-yl)methyl]-N-methylacetamide
CID 46984029
1-[2-[(5-Amino-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]pyrrolidine-2,5-dione
CID 20454970
(2R)-2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-pyrrolidin-1-ylpropan-1-one
CID 2481299
2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N,N-bis(2-methylpropyl)acetamide
CID 2630127
N-[5-(2-pyrrolidin-1-ylethylsulfanyl)-1,3,4-thiadiazol-2-yl]propanamide
CID 3716128

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-pyrrolidin-1-ylpropan-1-one?
The IUPAC name of (2S)-2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-pyrrolidin-1-ylpropan-1-one (CID 2481296) is (2S)-2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-pyrrolidin-1-ylpropan-1-one.
What is the SMILES notation for (2S)-2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-pyrrolidin-1-ylpropan-1-one?
The canonical SMILES for (2S)-2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-pyrrolidin-1-ylpropan-1-one is C[C@H](Sc1nnc(N)s1)C(=O)N1CCCC1.
What is the InChIKey of (2S)-2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-pyrrolidin-1-ylpropan-1-one?
The InChIKey is SXQLOIUOKJFCTE-LURJTMIESA-N. The full InChI is InChI=1S/C9H14N4OS2/c1-6(7(14)13-4-2-3-5-13)15-9-12-11-8(10)16-9/h6H,2-5H2,1H3,(H2,10,11)/t6-/m0/s1.
What are the key properties of (2S)-2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-pyrrolidin-1-ylpropan-1-one?
(2S)-2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-pyrrolidin-1-ylpropan-1-one has a molecular weight of 258.37 g/mol, XLogP of 1.22, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-pyrrolidin-1-ylpropan-1-one is sourced from PubChem (CID 2481296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).