5-(dipropylsulfamoyl)-1,3,4-thiadiazole-2-carboxamide

C9H16N4O3S2 — CID 68834905

IUPAC5-(dipropylsulfamoyl)-1,3,4-thiadiazole-2-carboxamide
SMILESCCCN(CCC)S(=O)(=O)c1nnc(C(N)=O)s1
InChIInChI=1S/C9H16N4O3S2/c1-3-5-13(6-4-2)18(15,16)9-12-11-8(17-9)7(10)14/h3-6H2,1-2H3,(H2,10,14)
InChIKeyNRZKWVTYVOELQC-UHFFFAOYSA-N
MW292.39 g/mol
LogP0.45
Rot. Bonds7

About 5-(dipropylsulfamoyl)-1,3,4-thiadiazole-2-carboxamide

5-(dipropylsulfamoyl)-1,3,4-thiadiazole-2-carboxamide (PubChem CID 68834905) has the molecular formula C9H16N4O3S2 and a molecular weight of 292.39 g/mol. Its IUPAC name is 5-(dipropylsulfamoyl)-1,3,4-thiadiazole-2-carboxamide.

Molecular Properties

Compound Name5-(dipropylsulfamoyl)-1,3,4-thiadiazole-2-carboxamide
PubChem CID68834905
Molecular FormulaC9H16N4O3S2
Molecular Weight292.39 g/mol
Exact Mass292.07
IUPAC Name5-(dipropylsulfamoyl)-1,3,4-thiadiazole-2-carboxamide
SMILESCCCN(CCC)S(=O)(=O)c1nnc(C(N)=O)s1
InChIInChI=1S/C9H16N4O3S2/c1-3-5-13(6-4-2)18(15,16)9-12-11-8(17-9)7(10)14/h3-6H2,1-2H3,(H2,10,14)
InChIKeyNRZKWVTYVOELQC-UHFFFAOYSA-N
XLogP0.45
TPSA106.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.39
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(dipropylsulfamoyl)-1,3,4-thiadiazole-2-carboxamide?
The IUPAC name of 5-(dipropylsulfamoyl)-1,3,4-thiadiazole-2-carboxamide (CID 68834905) is 5-(dipropylsulfamoyl)-1,3,4-thiadiazole-2-carboxamide.
What is the SMILES notation for 5-(dipropylsulfamoyl)-1,3,4-thiadiazole-2-carboxamide?
The canonical SMILES for 5-(dipropylsulfamoyl)-1,3,4-thiadiazole-2-carboxamide is CCCN(CCC)S(=O)(=O)c1nnc(C(N)=O)s1.
What is the InChIKey of 5-(dipropylsulfamoyl)-1,3,4-thiadiazole-2-carboxamide?
The InChIKey is NRZKWVTYVOELQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O3S2/c1-3-5-13(6-4-2)18(15,16)9-12-11-8(17-9)7(10)14/h3-6H2,1-2H3,(H2,10,14).
What are the key properties of 5-(dipropylsulfamoyl)-1,3,4-thiadiazole-2-carboxamide?
5-(dipropylsulfamoyl)-1,3,4-thiadiazole-2-carboxamide has a molecular weight of 292.39 g/mol, XLogP of 0.45, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(dipropylsulfamoyl)-1,3,4-thiadiazole-2-carboxamide is sourced from PubChem (CID 68834905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).