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

C8H13ClN4O3S2 — CID 113383322

IUPACN-[5-[(1-chloro-2-methylpropan-2-yl)sulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide
SMILESCC(=O)Nc1nnc(S(=O)(=O)NC(C)(C)CCl)s1
InChIInChI=1S/C8H13ClN4O3S2/c1-5(14)10-6-11-12-7(17-6)18(15,16)13-8(2,3)4-9/h13H,4H2,1-3H3,(H,10,11,14)
InChIKeyBDOSWSAJURMUNZ-UHFFFAOYSA-N
MW312.80 g/mol
LogP0.79
Rot. Bonds5

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

N-[5-[(1-chloro-2-methylpropan-2-yl)sulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide (PubChem CID 113383322) has the molecular formula C8H13ClN4O3S2 and a molecular weight of 312.80 g/mol. Its IUPAC name is N-[5-[(1-chloro-2-methylpropan-2-yl)sulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[5-[(1-chloro-2-methylpropan-2-yl)sulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide
PubChem CID113383322
Molecular FormulaC8H13ClN4O3S2
Molecular Weight312.80 g/mol
Exact Mass312.01
IUPAC NameN-[5-[(1-chloro-2-methylpropan-2-yl)sulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide
SMILESCC(=O)Nc1nnc(S(=O)(=O)NC(C)(C)CCl)s1
InChIInChI=1S/C8H13ClN4O3S2/c1-5(14)10-6-11-12-7(17-6)18(15,16)13-8(2,3)4-9/h13H,4H2,1-3H3,(H,10,11,14)
InChIKeyBDOSWSAJURMUNZ-UHFFFAOYSA-N
XLogP0.79
TPSA101.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.80
LogP ≤ 50.79
H-Bond Donors ≤ 52
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-[[1-hydroxy-2-(hydroxymethyl)butan-2-yl]sulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide
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(5-acetamido-1,3,4-thiadiazol-2-yl)sulfonylazanide
CID 24906315
N-[5-[(5-amino-2,2-dimethylpentyl)sulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide
CID 106141866
3-[(5-acetamido-1,3,4-thiadiazol-2-yl)sulfonylamino]-2-hydroxypropanoic acid
CID 113383289
N-[5-(2-methoxyethoxysulfamoyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 110417348
N-[5-[(2-hydroxy-4-methylpentyl)sulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide
CID 107155397
N-[5-(cyclohexylmethylsulfamoyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 100566485
N-[5-(1,3-thiazol-2-ylmethylsulfamoyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 110738901
N-[5-(thiophen-2-ylmethylsulfamoyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 110779516
N-[5-[(5-methyl-1,3-thiazol-2-yl)methylsulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide
CID 110739067
(2S)-2-[(5-acetamido-1,3,4-thiadiazol-2-yl)sulfonylamino]hexanoic acid
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Frequently Asked Questions

What is the IUPAC name of N-[5-[(1-chloro-2-methylpropan-2-yl)sulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide?
The IUPAC name of N-[5-[(1-chloro-2-methylpropan-2-yl)sulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide (CID 113383322) is N-[5-[(1-chloro-2-methylpropan-2-yl)sulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide.
What is the SMILES notation for N-[5-[(1-chloro-2-methylpropan-2-yl)sulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide?
The canonical SMILES for N-[5-[(1-chloro-2-methylpropan-2-yl)sulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide is CC(=O)Nc1nnc(S(=O)(=O)NC(C)(C)CCl)s1.
What is the InChIKey of N-[5-[(1-chloro-2-methylpropan-2-yl)sulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide?
The InChIKey is BDOSWSAJURMUNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13ClN4O3S2/c1-5(14)10-6-11-12-7(17-6)18(15,16)13-8(2,3)4-9/h13H,4H2,1-3H3,(H,10,11,14).
What are the key properties of N-[5-[(1-chloro-2-methylpropan-2-yl)sulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide?
N-[5-[(1-chloro-2-methylpropan-2-yl)sulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide has a molecular weight of 312.80 g/mol, XLogP of 0.79, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(1-chloro-2-methylpropan-2-yl)sulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide is sourced from PubChem (CID 113383322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).