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

C10H17BrN4O3S2 — CID 107206300

IUPACN-[5-[5-bromopentyl(methyl)sulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide
SMILESCC(=O)Nc1nnc(S(=O)(=O)N(C)CCCCCBr)s1
InChIInChI=1S/C10H17BrN4O3S2/c1-8(16)12-9-13-14-10(19-9)20(17,18)15(2)7-5-3-4-6-11/h3-7H2,1-2H3,(H,12,13,16)
InChIKeyJWLXITHICBLDBZ-UHFFFAOYSA-N
MW385.31 g/mol
LogP1.68
Rot. Bonds8

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

N-[5-[5-bromopentyl(methyl)sulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide (PubChem CID 107206300) has the molecular formula C10H17BrN4O3S2 and a molecular weight of 385.31 g/mol. Its IUPAC name is N-[5-[5-bromopentyl(methyl)sulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[5-[5-bromopentyl(methyl)sulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide
PubChem CID107206300
Molecular FormulaC10H17BrN4O3S2
Molecular Weight385.31 g/mol
Exact Mass383.99
IUPAC NameN-[5-[5-bromopentyl(methyl)sulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide
SMILESCC(=O)Nc1nnc(S(=O)(=O)N(C)CCCCCBr)s1
InChIInChI=1S/C10H17BrN4O3S2/c1-8(16)12-9-13-14-10(19-9)20(17,18)15(2)7-5-3-4-6-11/h3-7H2,1-2H3,(H,12,13,16)
InChIKeyJWLXITHICBLDBZ-UHFFFAOYSA-N
XLogP1.68
TPSA92.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.31
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-[methyl(thiophen-2-ylmethyl)sulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide
CID 110733668
N-[5-[cyclopropyl(methyl)sulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide
CID 110726801
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-[benzyl(methyl)sulfamoyl]-1,3,4-thiadiazol-2-yl]-4-methoxybenzamide
CID 22518170
2-bromo-N-[5-[(4-methoxyphenyl)methyl-methylsulfamoyl]-1,3,4-thiadiazol-2-yl]benzamide
CID 20921610
N-[5-[[2-(hydroxymethyl)cyclopentyl]sulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide
CID 106364604
N-[5-[2-(5-acetamido-1,3,4-thiadiazol-2-yl)ethyl]-1,3,4-thiadiazol-2-yl]acetamide
CID 2008219
2-(5-acetamido-1,3,4-thiadiazol-2-yl)acetamide
CID 175551949
(2S)-N-[5-[benzyl(methyl)sulfamoyl]-1,3,4-thiadiazol-2-yl]-2-phenoxypropanamide
CID 51460579
3-[(5-acetamido-1,3,4-thiadiazol-2-yl)sulfonylamino]-2-hydroxypropanoic acid
CID 113383289

Frequently Asked Questions

What is the IUPAC name of N-[5-[5-bromopentyl(methyl)sulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide?
The IUPAC name of N-[5-[5-bromopentyl(methyl)sulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide (CID 107206300) is N-[5-[5-bromopentyl(methyl)sulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide.
What is the SMILES notation for N-[5-[5-bromopentyl(methyl)sulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide?
The canonical SMILES for N-[5-[5-bromopentyl(methyl)sulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide is CC(=O)Nc1nnc(S(=O)(=O)N(C)CCCCCBr)s1.
What is the InChIKey of N-[5-[5-bromopentyl(methyl)sulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide?
The InChIKey is JWLXITHICBLDBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17BrN4O3S2/c1-8(16)12-9-13-14-10(19-9)20(17,18)15(2)7-5-3-4-6-11/h3-7H2,1-2H3,(H,12,13,16).
What are the key properties of N-[5-[5-bromopentyl(methyl)sulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide?
N-[5-[5-bromopentyl(methyl)sulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide has a molecular weight of 385.31 g/mol, XLogP of 1.68, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[5-bromopentyl(methyl)sulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide is sourced from PubChem (CID 107206300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).