N-[5-[cyclopropyl(methyl)sulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide

C8H12N4O3S2 — CID 110726801

IUPACN-[5-[cyclopropyl(methyl)sulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide
SMILESCC(=O)Nc1nnc(S(=O)(=O)N(C)C2CC2)s1
InChIInChI=1S/C8H12N4O3S2/c1-5(13)9-7-10-11-8(16-7)17(14,15)12(2)6-3-4-6/h6H,3-4H2,1-2H3,(H,9,10,13)
InChIKeyANOPOMSKWQVSKU-UHFFFAOYSA-N
MW276.34 g/mol
LogP0.28
Rot. Bonds4

About N-[5-[cyclopropyl(methyl)sulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide

N-[5-[cyclopropyl(methyl)sulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide (PubChem CID 110726801) has the molecular formula C8H12N4O3S2 and a molecular weight of 276.34 g/mol. Its IUPAC name is N-[5-[cyclopropyl(methyl)sulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[5-[cyclopropyl(methyl)sulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide
PubChem CID110726801
Molecular FormulaC8H12N4O3S2
Molecular Weight276.34 g/mol
Exact Mass276.04
IUPAC NameN-[5-[cyclopropyl(methyl)sulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide
SMILESCC(=O)Nc1nnc(S(=O)(=O)N(C)C2CC2)s1
InChIInChI=1S/C8H12N4O3S2/c1-5(13)9-7-10-11-8(16-7)17(14,15)12(2)6-3-4-6/h6H,3-4H2,1-2H3,(H,9,10,13)
InChIKeyANOPOMSKWQVSKU-UHFFFAOYSA-N
XLogP0.28
TPSA92.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 50.28
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-[cyclobutyl(3-hydroxypropyl)sulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide
CID 102867499
(5-acetamido-1,3,4-thiadiazol-2-yl)sulfonylazanide
CID 24906315
N-[5-[methyl(1,3-thiazol-2-yl)sulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide
CID 110723460
N-[5-[5-bromopentyl(methyl)sulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide
CID 107206300
N-[5-[[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]sulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide
CID 125060441
N-[5-(3-chloropyrrolidin-1-yl)sulfonyl-1,3,4-thiadiazol-2-yl]acetamide
CID 113383321
N-[5-[methyl(thiophen-2-ylmethyl)sulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide
CID 110733668
N-[5-(cyclohexylmethylsulfamoyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 100566485
N-(5-piperidin-1-ylsulfonyl-1,3,4-thiadiazol-2-yl)acetamide
CID 56919403
N-[5-[[2-(hydroxymethyl)cyclopentyl]sulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide
CID 106364604
N-[5-[4-(1-chloroethyl)piperidin-1-yl]sulfonyl-1,3,4-thiadiazol-2-yl]acetamide
CID 106839517
N-[5-[ethyl-(4-methoxyphenyl)sulfamoyl]-1,3,4-thiadiazol-2-yl]cyclohexanecarboxamide
CID 22518133

Frequently Asked Questions

What is the IUPAC name of N-[5-[cyclopropyl(methyl)sulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide?
The IUPAC name of N-[5-[cyclopropyl(methyl)sulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide (CID 110726801) is N-[5-[cyclopropyl(methyl)sulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide.
What is the SMILES notation for N-[5-[cyclopropyl(methyl)sulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide?
The canonical SMILES for N-[5-[cyclopropyl(methyl)sulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide is CC(=O)Nc1nnc(S(=O)(=O)N(C)C2CC2)s1.
What is the InChIKey of N-[5-[cyclopropyl(methyl)sulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide?
The InChIKey is ANOPOMSKWQVSKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4O3S2/c1-5(13)9-7-10-11-8(16-7)17(14,15)12(2)6-3-4-6/h6H,3-4H2,1-2H3,(H,9,10,13).
What are the key properties of N-[5-[cyclopropyl(methyl)sulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide?
N-[5-[cyclopropyl(methyl)sulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide has a molecular weight of 276.34 g/mol, XLogP of 0.28, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[cyclopropyl(methyl)sulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide is sourced from PubChem (CID 110726801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).