2-[(5-acetamido-1,3,4-thiadiazol-2-yl)sulfanyl]-N-cyclopentylacetamide

C11H16N4O2S2 — CID 1470518

IUPAC2-[(5-acetamido-1,3,4-thiadiazol-2-yl)sulfanyl]-N-cyclopentylacetamide
SMILESCC(=O)Nc1nnc(SCC(=O)NC2CCCC2)s1
InChIInChI=1S/C11H16N4O2S2/c1-7(16)12-10-14-15-11(19-10)18-6-9(17)13-8-4-2-3-5-8/h8H,2-6H2,1H3,(H,13,17)(H,12,14,16)
InChIKeyCCBBFTJOKNWBBM-UHFFFAOYSA-N
MW300.41 g/mol
LogP1.65
Rot. Bonds5

About 2-[(5-acetamido-1,3,4-thiadiazol-2-yl)sulfanyl]-N-cyclopentylacetamide

2-[(5-acetamido-1,3,4-thiadiazol-2-yl)sulfanyl]-N-cyclopentylacetamide (PubChem CID 1470518) has the molecular formula C11H16N4O2S2 and a molecular weight of 300.41 g/mol. Its IUPAC name is 2-[(5-acetamido-1,3,4-thiadiazol-2-yl)sulfanyl]-N-cyclopentylacetamide.

Molecular Properties

Compound Name2-[(5-acetamido-1,3,4-thiadiazol-2-yl)sulfanyl]-N-cyclopentylacetamide
PubChem CID1470518
Molecular FormulaC11H16N4O2S2
Molecular Weight300.41 g/mol
Exact Mass300.07
IUPAC Name2-[(5-acetamido-1,3,4-thiadiazol-2-yl)sulfanyl]-N-cyclopentylacetamide
SMILESCC(=O)Nc1nnc(SCC(=O)NC2CCCC2)s1
InChIInChI=1S/C11H16N4O2S2/c1-7(16)12-10-14-15-11(19-10)18-6-9(17)13-8-4-2-3-5-8/h8H,2-6H2,1H3,(H,13,17)(H,12,14,16)
InChIKeyCCBBFTJOKNWBBM-UHFFFAOYSA-N
XLogP1.65
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.41
LogP ≤ 51.65
H-Bond Donors ≤ 52
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

1-Cyclohexyl-3-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)urea
CID 896958
2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-cyclopentylacetamide
CID 673899
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-Cyclohexylcarbamoylmethylsulfanyl-[1,3,4]thiadiazol-2-yl)-3,3-dimethyl-butyramide
CID 1470458
N-(5-((2-(diisopropylamino)-2-oxoethyl)thio)-1,3,4-thiadiazol-2-yl)cyclobutanecarboxamide
CID 655699
N-(5-((2-(cyclopentylamino)-2-oxoethyl)thio)-1,3,4-thiadiazol-2-yl)-3-methylbutanamide
CID 8482338
N-(5-Cyclopropylcarbamoylmethylsulfanyl-[1,3,4]thiadiazol-2-yl)-2,2-dimethyl-propionamide
CID 1462684
N-(5-Cyclopropylcarbamoylmethylsulfanyl-[1,3,4]thiadiazol-2-yl)-butyramide
CID 1462705
N-(5-Cyclopentylcarbamoylmethylsulfanyl-[1,3,4]thiadiazol-2-yl)-isobutyramide
CID 1470429
N-(5-Cyclopentylcarbamoylmethylsulfanyl-[1,3,4]thiadiazol-2-yl)-2,2-dimethyl-propionamide
CID 1470430
N-(5-Cyclopentylcarbamoylmethylsulfanyl-[1,3,4]thiadiazol-2-yl)-3,3-dimethyl-butyramide
CID 1470440

Frequently Asked Questions

What is the IUPAC name of 2-[(5-acetamido-1,3,4-thiadiazol-2-yl)sulfanyl]-N-cyclopentylacetamide?
The IUPAC name of 2-[(5-acetamido-1,3,4-thiadiazol-2-yl)sulfanyl]-N-cyclopentylacetamide (CID 1470518) is 2-[(5-acetamido-1,3,4-thiadiazol-2-yl)sulfanyl]-N-cyclopentylacetamide.
What is the SMILES notation for 2-[(5-acetamido-1,3,4-thiadiazol-2-yl)sulfanyl]-N-cyclopentylacetamide?
The canonical SMILES for 2-[(5-acetamido-1,3,4-thiadiazol-2-yl)sulfanyl]-N-cyclopentylacetamide is CC(=O)Nc1nnc(SCC(=O)NC2CCCC2)s1.
What is the InChIKey of 2-[(5-acetamido-1,3,4-thiadiazol-2-yl)sulfanyl]-N-cyclopentylacetamide?
The InChIKey is CCBBFTJOKNWBBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O2S2/c1-7(16)12-10-14-15-11(19-10)18-6-9(17)13-8-4-2-3-5-8/h8H,2-6H2,1H3,(H,13,17)(H,12,14,16).
What are the key properties of 2-[(5-acetamido-1,3,4-thiadiazol-2-yl)sulfanyl]-N-cyclopentylacetamide?
2-[(5-acetamido-1,3,4-thiadiazol-2-yl)sulfanyl]-N-cyclopentylacetamide has a molecular weight of 300.41 g/mol, XLogP of 1.65, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-acetamido-1,3,4-thiadiazol-2-yl)sulfanyl]-N-cyclopentylacetamide is sourced from PubChem (CID 1470518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).