N-[5-(tert-butylsulfamoyl)-3-methyl-1,3,4-thiadiazol-2-ylidene]acetamide

C9H16N4O3S2 — CID 126705737

IUPACN-[5-(tert-butylsulfamoyl)-3-methyl-1,3,4-thiadiazol-2-ylidene]acetamide
SMILESCC(=O)/N=c1\sc(S(=O)(=O)NC(C)(C)C)nn1C
InChIInChI=1S/C9H16N4O3S2/c1-6(14)10-7-13(5)11-8(17-7)18(15,16)12-9(2,3)4/h12H,1-5H3/b10-7-
InChIKeyWSHLKTSKEKAIKK-YFHOEESVSA-N
MW292.39 g/mol
LogP0.01
Rot. Bonds2

About N-[5-(tert-butylsulfamoyl)-3-methyl-1,3,4-thiadiazol-2-ylidene]acetamide

N-[5-(tert-butylsulfamoyl)-3-methyl-1,3,4-thiadiazol-2-ylidene]acetamide (PubChem CID 126705737) has the molecular formula C9H16N4O3S2 and a molecular weight of 292.39 g/mol. Its IUPAC name is N-[5-(tert-butylsulfamoyl)-3-methyl-1,3,4-thiadiazol-2-ylidene]acetamide.

Molecular Properties

Compound NameN-[5-(tert-butylsulfamoyl)-3-methyl-1,3,4-thiadiazol-2-ylidene]acetamide
PubChem CID126705737
Molecular FormulaC9H16N4O3S2
Molecular Weight292.39 g/mol
Exact Mass292.07
IUPAC NameN-[5-(tert-butylsulfamoyl)-3-methyl-1,3,4-thiadiazol-2-ylidene]acetamide
SMILESCC(=O)/N=c1\sc(S(=O)(=O)NC(C)(C)C)nn1C
InChIInChI=1S/C9H16N4O3S2/c1-6(14)10-7-13(5)11-8(17-7)18(15,16)12-9(2,3)4/h12H,1-5H3/b10-7-
InChIKeyWSHLKTSKEKAIKK-YFHOEESVSA-N
XLogP0.01
TPSA93.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.39
LogP ≤ 50.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[5-(tert-butylsulfamoyl)-3-methyl-1,3,4-thiadiazol-2-ylidene]acetamide?
The IUPAC name of N-[5-(tert-butylsulfamoyl)-3-methyl-1,3,4-thiadiazol-2-ylidene]acetamide (CID 126705737) is N-[5-(tert-butylsulfamoyl)-3-methyl-1,3,4-thiadiazol-2-ylidene]acetamide.
What is the SMILES notation for N-[5-(tert-butylsulfamoyl)-3-methyl-1,3,4-thiadiazol-2-ylidene]acetamide?
The canonical SMILES for N-[5-(tert-butylsulfamoyl)-3-methyl-1,3,4-thiadiazol-2-ylidene]acetamide is CC(=O)/N=c1\sc(S(=O)(=O)NC(C)(C)C)nn1C.
What is the InChIKey of N-[5-(tert-butylsulfamoyl)-3-methyl-1,3,4-thiadiazol-2-ylidene]acetamide?
The InChIKey is WSHLKTSKEKAIKK-YFHOEESVSA-N. The full InChI is InChI=1S/C9H16N4O3S2/c1-6(14)10-7-13(5)11-8(17-7)18(15,16)12-9(2,3)4/h12H,1-5H3/b10-7-.
What are the key properties of N-[5-(tert-butylsulfamoyl)-3-methyl-1,3,4-thiadiazol-2-ylidene]acetamide?
N-[5-(tert-butylsulfamoyl)-3-methyl-1,3,4-thiadiazol-2-ylidene]acetamide has a molecular weight of 292.39 g/mol, XLogP of 0.01, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(tert-butylsulfamoyl)-3-methyl-1,3,4-thiadiazol-2-ylidene]acetamide is sourced from PubChem (CID 126705737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).