N-[5-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyl-1,3,4-thiadiazol-2-yl]acetamide

C10H14N4O2S2 — CID 895815

IUPACN-[5-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyl-1,3,4-thiadiazol-2-yl]acetamide
SMILESCC(=O)Nc1nnc(SCC(=O)N2CCCC2)s1
InChIInChI=1S/C10H14N4O2S2/c1-7(15)11-9-12-13-10(18-9)17-6-8(16)14-4-2-3-5-14/h2-6H2,1H3,(H,11,12,15)
InChIKeyKXCZZILHZCFCMI-UHFFFAOYSA-N
MW286.38 g/mol
LogP1.21
Rot. Bonds4

About N-[5-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyl-1,3,4-thiadiazol-2-yl]acetamide

N-[5-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyl-1,3,4-thiadiazol-2-yl]acetamide (PubChem CID 895815) has the molecular formula C10H14N4O2S2 and a molecular weight of 286.38 g/mol. Its IUPAC name is N-[5-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyl-1,3,4-thiadiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[5-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyl-1,3,4-thiadiazol-2-yl]acetamide
PubChem CID895815
Molecular FormulaC10H14N4O2S2
Molecular Weight286.38 g/mol
Exact Mass286.06
IUPAC NameN-[5-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyl-1,3,4-thiadiazol-2-yl]acetamide
SMILESCC(=O)Nc1nnc(SCC(=O)N2CCCC2)s1
InChIInChI=1S/C10H14N4O2S2/c1-7(15)11-9-12-13-10(18-9)17-6-8(16)14-4-2-3-5-14/h2-6H2,1H3,(H,11,12,15)
InChIKeyKXCZZILHZCFCMI-UHFFFAOYSA-N
XLogP1.21
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-acyl-2-amino-5-mercapto-1,3,4-_thiadiazole', 'substructure': 'N/A'}

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Related Compounds

N-[5-(2-Oxo-2-piperidin-1-yl-ethylsulfanyl)-[1,3,4]thiadiazol-2-yl]-butyramide
CID 1084779
2-(5-Acetylamino-[1,3,4]thiadiazol-2-ylsulfanyl)-N-cyclopropyl-acetamide
CID 1462703
N-(5-Cyclopropylcarbamoylmethylsulfanyl-[1,3,4]thiadiazol-2-yl)-butyramide
CID 1462705
N-(5-Cyclopentylcarbamoylmethylsulfanyl-[1,3,4]thiadiazol-2-yl)-propionamide
CID 1470519
2-[(5-acetamido-1,3,4-thiadiazol-2-yl)sulfanyl]-N-butylacetamide
CID 1863801
2-(5-Acetylamino-[1,3,4]thiadiazol-2-ylsulfanyl)-N-cyclopentyl-acetamide
CID 1470518
1-[2-[[5-(Ethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]imidazolidin-2-one
CID 17403994
5-[(2-Oxo-2-pyrrolidin-1-ylethyl)thio]-1,3,4-thiadiazol-2-amine
CID 558211
Cambridge id 6962708
CID 801760
N-(5-{[2-oxo-2-(piperidin-1-yl)ethyl]sulfanyl}-1,3,4-thiadiazol-2-yl)acetamide
CID 1084777
2-[[5-(butylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(methylcarbamoyl)propanamide
CID 45100044
2-[(5-pyrrolidin-1-yl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2,2,2-trifluoroethyl)propanamide
CID 60563740

Frequently Asked Questions

What is the IUPAC name of N-[5-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyl-1,3,4-thiadiazol-2-yl]acetamide?
The IUPAC name of N-[5-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyl-1,3,4-thiadiazol-2-yl]acetamide (CID 895815) is N-[5-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyl-1,3,4-thiadiazol-2-yl]acetamide.
What is the SMILES notation for N-[5-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyl-1,3,4-thiadiazol-2-yl]acetamide?
The canonical SMILES for N-[5-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyl-1,3,4-thiadiazol-2-yl]acetamide is CC(=O)Nc1nnc(SCC(=O)N2CCCC2)s1.
What is the InChIKey of N-[5-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyl-1,3,4-thiadiazol-2-yl]acetamide?
The InChIKey is KXCZZILHZCFCMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O2S2/c1-7(15)11-9-12-13-10(18-9)17-6-8(16)14-4-2-3-5-14/h2-6H2,1H3,(H,11,12,15).
What are the key properties of N-[5-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyl-1,3,4-thiadiazol-2-yl]acetamide?
N-[5-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyl-1,3,4-thiadiazol-2-yl]acetamide has a molecular weight of 286.38 g/mol, XLogP of 1.21, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyl-1,3,4-thiadiazol-2-yl]acetamide is sourced from PubChem (CID 895815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).