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

C10H13N5O3S2 — CID 43212688

IUPACN-[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]-2-(2-oxopyrrolidin-1-yl)acetamide
SMILESNc1nnc(SCC(=O)NC(=O)CN2CCCC2=O)s1
InChIInChI=1S/C10H13N5O3S2/c11-9-13-14-10(20-9)19-5-7(17)12-6(16)4-15-3-1-2-8(15)18/h1-5H2,(H2,11,13)(H,12,16,17)
InChIKeyLNFPJLNXXOSSQC-UHFFFAOYSA-N
MW315.38 g/mol
LogP-0.52
Rot. Bonds5

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

N-[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]-2-(2-oxopyrrolidin-1-yl)acetamide (PubChem CID 43212688) has the molecular formula C10H13N5O3S2 and a molecular weight of 315.38 g/mol. Its IUPAC name is N-[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]-2-(2-oxopyrrolidin-1-yl)acetamide.

Molecular Properties

Compound NameN-[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]-2-(2-oxopyrrolidin-1-yl)acetamide
PubChem CID43212688
Molecular FormulaC10H13N5O3S2
Molecular Weight315.38 g/mol
Exact Mass315.05
IUPAC NameN-[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]-2-(2-oxopyrrolidin-1-yl)acetamide
SMILESNc1nnc(SCC(=O)NC(=O)CN2CCCC2=O)s1
InChIInChI=1S/C10H13N5O3S2/c11-9-13-14-10(20-9)19-5-7(17)12-6(16)4-15-3-1-2-8(15)18/h1-5H2,(H2,11,13)(H,12,16,17)
InChIKeyLNFPJLNXXOSSQC-UHFFFAOYSA-N
XLogP-0.52
TPSA118.28 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.38
LogP ≤ 5-0.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

5-[(2-Oxo-2-pyrrolidin-1-ylethyl)thio]-1,3,4-thiadiazol-2-amine
CID 558211
2-[(5-Amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-pyrrolidin-1-ylpropan-1-one
CID 4883182
1-[2-[(5-Amino-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]pyrrolidine-2,5-dione
CID 20454970
(2S)-2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-pyrrolidin-1-ylpropan-1-one
CID 2481296
(2R)-2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-pyrrolidin-1-ylpropan-1-one
CID 2481299
1-[2-[(5-Amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]pyrrolidin-2-one
CID 8633179
N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-4-(3-methyl-2,5-dioxoimidazolidin-1-yl)butanamide
CID 8777536
1-[2-[[5-(Propylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]pyrrolidin-2-one
CID 9378708
1-[2-[[5-(Ethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]pyrrolidin-2-one
CID 9379551
N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-(5-methyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)acetamide
CID 17033521
2-(5-ethyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)acetamide
CID 17033607
2-(2,5-dioxopyrrolidin-1-yl)-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)acetamide
CID 17034779

Frequently Asked Questions

What is the IUPAC name of N-[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]-2-(2-oxopyrrolidin-1-yl)acetamide?
The IUPAC name of N-[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]-2-(2-oxopyrrolidin-1-yl)acetamide (CID 43212688) is N-[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]-2-(2-oxopyrrolidin-1-yl)acetamide.
What is the SMILES notation for N-[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]-2-(2-oxopyrrolidin-1-yl)acetamide?
The canonical SMILES for N-[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]-2-(2-oxopyrrolidin-1-yl)acetamide is Nc1nnc(SCC(=O)NC(=O)CN2CCCC2=O)s1.
What is the InChIKey of N-[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]-2-(2-oxopyrrolidin-1-yl)acetamide?
The InChIKey is LNFPJLNXXOSSQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5O3S2/c11-9-13-14-10(20-9)19-5-7(17)12-6(16)4-15-3-1-2-8(15)18/h1-5H2,(H2,11,13)(H,12,16,17).
What are the key properties of N-[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]-2-(2-oxopyrrolidin-1-yl)acetamide?
N-[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]-2-(2-oxopyrrolidin-1-yl)acetamide has a molecular weight of 315.38 g/mol, XLogP of -0.52, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]-2-(2-oxopyrrolidin-1-yl)acetamide is sourced from PubChem (CID 43212688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).