1-[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]-N-ethylpyrrolidine-3-carboxamide

C11H17N5O2S2 — CID 46994099

IUPAC1-[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]-N-ethylpyrrolidine-3-carboxamide
SMILESCCNC(=O)C1CCN(C(=O)CSc2nnc(N)s2)C1
InChIInChI=1S/C11H17N5O2S2/c1-2-13-9(18)7-3-4-16(5-7)8(17)6-19-11-15-14-10(12)20-11/h7H,2-6H2,1H3,(H2,12,14)(H,13,18)
InChIKeyFNCPPQSDJAVTHV-UHFFFAOYSA-N
MW315.42 g/mol
LogP0.20
Rot. Bonds5

About 1-[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]-N-ethylpyrrolidine-3-carboxamide

1-[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]-N-ethylpyrrolidine-3-carboxamide (PubChem CID 46994099) has the molecular formula C11H17N5O2S2 and a molecular weight of 315.42 g/mol. Its IUPAC name is 1-[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]-N-ethylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]-N-ethylpyrrolidine-3-carboxamide
PubChem CID46994099
Molecular FormulaC11H17N5O2S2
Molecular Weight315.42 g/mol
Exact Mass315.08
IUPAC Name1-[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]-N-ethylpyrrolidine-3-carboxamide
SMILESCCNC(=O)C1CCN(C(=O)CSc2nnc(N)s2)C1
InChIInChI=1S/C11H17N5O2S2/c1-2-13-9(18)7-3-4-16(5-7)8(17)6-19-11-15-14-10(12)20-11/h7H,2-6H2,1H3,(H2,12,14)(H,13,18)
InChIKeyFNCPPQSDJAVTHV-UHFFFAOYSA-N
XLogP0.20
TPSA101.21 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 50.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]-N-ethylpyrrolidine-3-carboxamide?
The IUPAC name of 1-[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]-N-ethylpyrrolidine-3-carboxamide (CID 46994099) is 1-[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]-N-ethylpyrrolidine-3-carboxamide.
What is the SMILES notation for 1-[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]-N-ethylpyrrolidine-3-carboxamide?
The canonical SMILES for 1-[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]-N-ethylpyrrolidine-3-carboxamide is CCNC(=O)C1CCN(C(=O)CSc2nnc(N)s2)C1.
What is the InChIKey of 1-[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]-N-ethylpyrrolidine-3-carboxamide?
The InChIKey is FNCPPQSDJAVTHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5O2S2/c1-2-13-9(18)7-3-4-16(5-7)8(17)6-19-11-15-14-10(12)20-11/h7H,2-6H2,1H3,(H2,12,14)(H,13,18).
What are the key properties of 1-[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]-N-ethylpyrrolidine-3-carboxamide?
1-[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]-N-ethylpyrrolidine-3-carboxamide has a molecular weight of 315.42 g/mol, XLogP of 0.20, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]-N-ethylpyrrolidine-3-carboxamide is sourced from PubChem (CID 46994099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).