N-[5-(3-chloropyrrolidin-1-yl)sulfonyl-1,3,4-thiadiazol-2-yl]acetamide

C8H11ClN4O3S2 — CID 113383321

IUPACN-[5-(3-chloropyrrolidin-1-yl)sulfonyl-1,3,4-thiadiazol-2-yl]acetamide
SMILESCC(=O)Nc1nnc(S(=O)(=O)N2CCC(Cl)C2)s1
InChIInChI=1S/C8H11ClN4O3S2/c1-5(14)10-7-11-12-8(17-7)18(15,16)13-3-2-6(9)4-13/h6H,2-4H2,1H3,(H,10,11,14)
InChIKeyYTBWMVHRMBERDG-UHFFFAOYSA-N
MW310.79 g/mol
LogP0.50
Rot. Bonds3

About N-[5-(3-chloropyrrolidin-1-yl)sulfonyl-1,3,4-thiadiazol-2-yl]acetamide

N-[5-(3-chloropyrrolidin-1-yl)sulfonyl-1,3,4-thiadiazol-2-yl]acetamide (PubChem CID 113383321) has the molecular formula C8H11ClN4O3S2 and a molecular weight of 310.79 g/mol. Its IUPAC name is N-[5-(3-chloropyrrolidin-1-yl)sulfonyl-1,3,4-thiadiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[5-(3-chloropyrrolidin-1-yl)sulfonyl-1,3,4-thiadiazol-2-yl]acetamide
PubChem CID113383321
Molecular FormulaC8H11ClN4O3S2
Molecular Weight310.79 g/mol
Exact Mass310.00
IUPAC NameN-[5-(3-chloropyrrolidin-1-yl)sulfonyl-1,3,4-thiadiazol-2-yl]acetamide
SMILESCC(=O)Nc1nnc(S(=O)(=O)N2CCC(Cl)C2)s1
InChIInChI=1S/C8H11ClN4O3S2/c1-5(14)10-7-11-12-8(17-7)18(15,16)13-3-2-6(9)4-13/h6H,2-4H2,1H3,(H,10,11,14)
InChIKeyYTBWMVHRMBERDG-UHFFFAOYSA-N
XLogP0.50
TPSA92.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.79
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[5-[4-(1-chloroethyl)piperidin-1-yl]sulfonyl-1,3,4-thiadiazol-2-yl]acetamide
CID 106839517
N-(5-piperidin-1-ylsulfonyl-1,3,4-thiadiazol-2-yl)acetamide
CID 56919403
N-[5-(4-methyl-3-phenylpiperazin-1-yl)sulfonyl-1,3,4-thiadiazol-2-yl]acetamide
CID 110418588
N-[5-[4-(2-oxopropyl)piperazin-1-yl]sulfonyl-1,3,4-thiadiazol-2-yl]acetamide
CID 110665646
N-[5-(1,3-oxazinan-3-ylsulfonyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 110739746
N-[5-[4-(2,2-dimethylpropyl)piperazin-1-yl]sulfonyl-1,3,4-thiadiazol-2-yl]acetamide
CID 110308658
N-[5-(4-pyridin-2-ylpiperazin-1-yl)sulfonyl-1,3,4-thiadiazol-2-yl]acetamide
CID 110300305
N-[5-[(3R)-3-methylpiperidin-1-yl]sulfonyl-1,3,4-thiadiazol-2-yl]propanamide
CID 95875500
N-[5-[2-(aminomethyl)-3-methylpyrrolidin-1-yl]sulfonyl-1,3,4-thiadiazol-2-yl]acetamide
CID 102783714
N-[5-[2-(bromomethyl)azepan-1-yl]sulfonyl-1,3,4-thiadiazol-2-yl]acetamide
CID 116639673
N-[5-[2-(aminomethyl)azepan-1-yl]sulfonyl-1,3,4-thiadiazol-2-yl]acetamide
CID 116640179
N-[5-[cyclopropyl(methyl)sulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide
CID 110726801

Frequently Asked Questions

What is the IUPAC name of N-[5-(3-chloropyrrolidin-1-yl)sulfonyl-1,3,4-thiadiazol-2-yl]acetamide?
The IUPAC name of N-[5-(3-chloropyrrolidin-1-yl)sulfonyl-1,3,4-thiadiazol-2-yl]acetamide (CID 113383321) is N-[5-(3-chloropyrrolidin-1-yl)sulfonyl-1,3,4-thiadiazol-2-yl]acetamide.
What is the SMILES notation for N-[5-(3-chloropyrrolidin-1-yl)sulfonyl-1,3,4-thiadiazol-2-yl]acetamide?
The canonical SMILES for N-[5-(3-chloropyrrolidin-1-yl)sulfonyl-1,3,4-thiadiazol-2-yl]acetamide is CC(=O)Nc1nnc(S(=O)(=O)N2CCC(Cl)C2)s1.
What is the InChIKey of N-[5-(3-chloropyrrolidin-1-yl)sulfonyl-1,3,4-thiadiazol-2-yl]acetamide?
The InChIKey is YTBWMVHRMBERDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11ClN4O3S2/c1-5(14)10-7-11-12-8(17-7)18(15,16)13-3-2-6(9)4-13/h6H,2-4H2,1H3,(H,10,11,14).
What are the key properties of N-[5-(3-chloropyrrolidin-1-yl)sulfonyl-1,3,4-thiadiazol-2-yl]acetamide?
N-[5-(3-chloropyrrolidin-1-yl)sulfonyl-1,3,4-thiadiazol-2-yl]acetamide has a molecular weight of 310.79 g/mol, XLogP of 0.50, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(3-chloropyrrolidin-1-yl)sulfonyl-1,3,4-thiadiazol-2-yl]acetamide is sourced from PubChem (CID 113383321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).