N-(5-piperidin-1-ylsulfonyl-1,3,4-thiadiazol-2-yl)acetamide

C9H14N4O3S2 — CID 56919403

IUPACN-(5-piperidin-1-ylsulfonyl-1,3,4-thiadiazol-2-yl)acetamide
SMILESCC(=O)Nc1nnc(S(=O)(=O)N2CCCCC2)s1
InChIInChI=1S/C9H14N4O3S2/c1-7(14)10-8-11-12-9(17-8)18(15,16)13-5-3-2-4-6-13/h2-6H2,1H3,(H,10,11,14)
InChIKeyCSEXBPHHISUFMA-UHFFFAOYSA-N
MW290.37 g/mol
LogP0.67
Rot. Bonds3

About N-(5-piperidin-1-ylsulfonyl-1,3,4-thiadiazol-2-yl)acetamide

N-(5-piperidin-1-ylsulfonyl-1,3,4-thiadiazol-2-yl)acetamide (PubChem CID 56919403) has the molecular formula C9H14N4O3S2 and a molecular weight of 290.37 g/mol. Its IUPAC name is N-(5-piperidin-1-ylsulfonyl-1,3,4-thiadiazol-2-yl)acetamide.

Molecular Properties

Compound NameN-(5-piperidin-1-ylsulfonyl-1,3,4-thiadiazol-2-yl)acetamide
PubChem CID56919403
Molecular FormulaC9H14N4O3S2
Molecular Weight290.37 g/mol
Exact Mass290.05
IUPAC NameN-(5-piperidin-1-ylsulfonyl-1,3,4-thiadiazol-2-yl)acetamide
SMILESCC(=O)Nc1nnc(S(=O)(=O)N2CCCCC2)s1
InChIInChI=1S/C9H14N4O3S2/c1-7(14)10-8-11-12-9(17-8)18(15,16)13-5-3-2-4-6-13/h2-6H2,1H3,(H,10,11,14)
InChIKeyCSEXBPHHISUFMA-UHFFFAOYSA-N
XLogP0.67
TPSA92.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 50.67
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-(1,3-oxazinan-3-ylsulfonyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 110739746
N-[5-[4-(2-oxopropyl)piperazin-1-yl]sulfonyl-1,3,4-thiadiazol-2-yl]acetamide
CID 110665646
N-[5-(3-chloropyrrolidin-1-yl)sulfonyl-1,3,4-thiadiazol-2-yl]acetamide
CID 113383321
N-[5-[4-(2,2-dimethylpropyl)piperazin-1-yl]sulfonyl-1,3,4-thiadiazol-2-yl]acetamide
CID 110308658
N-[5-[4-(1-chloroethyl)piperidin-1-yl]sulfonyl-1,3,4-thiadiazol-2-yl]acetamide
CID 106839517
N-[5-[2-(aminomethyl)azepan-1-yl]sulfonyl-1,3,4-thiadiazol-2-yl]acetamide
CID 116640179
2,4-dichloro-N-(5-piperidin-1-ylsulfonyl-1,3,4-thiadiazol-2-yl)benzamide
CID 100538861
N-[5-[2-(bromomethyl)azepan-1-yl]sulfonyl-1,3,4-thiadiazol-2-yl]acetamide
CID 116639673
N-[5-(4-pyridin-2-ylpiperazin-1-yl)sulfonyl-1,3,4-thiadiazol-2-yl]acetamide
CID 110300305
N-(5-morpholin-4-ylsulfonyl-1,3,4-thiadiazol-2-yl)cyclohexanecarboxamide
CID 22517558
N-[5-[(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)sulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide
CID 100656363
N-[5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 56920904

Frequently Asked Questions

What is the IUPAC name of N-(5-piperidin-1-ylsulfonyl-1,3,4-thiadiazol-2-yl)acetamide?
The IUPAC name of N-(5-piperidin-1-ylsulfonyl-1,3,4-thiadiazol-2-yl)acetamide (CID 56919403) is N-(5-piperidin-1-ylsulfonyl-1,3,4-thiadiazol-2-yl)acetamide.
What is the SMILES notation for N-(5-piperidin-1-ylsulfonyl-1,3,4-thiadiazol-2-yl)acetamide?
The canonical SMILES for N-(5-piperidin-1-ylsulfonyl-1,3,4-thiadiazol-2-yl)acetamide is CC(=O)Nc1nnc(S(=O)(=O)N2CCCCC2)s1.
What is the InChIKey of N-(5-piperidin-1-ylsulfonyl-1,3,4-thiadiazol-2-yl)acetamide?
The InChIKey is CSEXBPHHISUFMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O3S2/c1-7(14)10-8-11-12-9(17-8)18(15,16)13-5-3-2-4-6-13/h2-6H2,1H3,(H,10,11,14).
What are the key properties of N-(5-piperidin-1-ylsulfonyl-1,3,4-thiadiazol-2-yl)acetamide?
N-(5-piperidin-1-ylsulfonyl-1,3,4-thiadiazol-2-yl)acetamide has a molecular weight of 290.37 g/mol, XLogP of 0.67, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-piperidin-1-ylsulfonyl-1,3,4-thiadiazol-2-yl)acetamide is sourced from PubChem (CID 56919403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).