N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-methyl-4-(methylsulfamoyl)pyrrole-2-carboxamide

C11H15N5O3S2 — CID 29410809

IUPACN-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-methyl-4-(methylsulfamoyl)pyrrole-2-carboxamide
SMILESCCc1nnc(NC(=O)c2cc(S(=O)(=O)NC)cn2C)s1
InChIInChI=1S/C11H15N5O3S2/c1-4-9-14-15-11(20-9)13-10(17)8-5-7(6-16(8)3)21(18,19)12-2/h5-6,12H,4H2,1-3H3,(H,13,15,17)
InChIKeyHAUQREISBLVVLF-UHFFFAOYSA-N
MW329.41 g/mol
LogP0.60
Rot. Bonds5

About N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-methyl-4-(methylsulfamoyl)pyrrole-2-carboxamide

N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-methyl-4-(methylsulfamoyl)pyrrole-2-carboxamide (PubChem CID 29410809) has the molecular formula C11H15N5O3S2 and a molecular weight of 329.41 g/mol. Its IUPAC name is N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-methyl-4-(methylsulfamoyl)pyrrole-2-carboxamide.

Molecular Properties

Compound NameN-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-methyl-4-(methylsulfamoyl)pyrrole-2-carboxamide
PubChem CID29410809
Molecular FormulaC11H15N5O3S2
Molecular Weight329.41 g/mol
Exact Mass329.06
IUPAC NameN-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-methyl-4-(methylsulfamoyl)pyrrole-2-carboxamide
SMILESCCc1nnc(NC(=O)c2cc(S(=O)(=O)NC)cn2C)s1
InChIInChI=1S/C11H15N5O3S2/c1-4-9-14-15-11(20-9)13-10(17)8-5-7(6-16(8)3)21(18,19)12-2/h5-6,12H,4H2,1-3H3,(H,13,15,17)
InChIKeyHAUQREISBLVVLF-UHFFFAOYSA-N
XLogP0.60
TPSA105.98 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.41
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-methyl-4-(methylsulfamoyl)pyrrole-2-carboxamide?
The IUPAC name of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-methyl-4-(methylsulfamoyl)pyrrole-2-carboxamide (CID 29410809) is N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-methyl-4-(methylsulfamoyl)pyrrole-2-carboxamide.
What is the SMILES notation for N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-methyl-4-(methylsulfamoyl)pyrrole-2-carboxamide?
The canonical SMILES for N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-methyl-4-(methylsulfamoyl)pyrrole-2-carboxamide is CCc1nnc(NC(=O)c2cc(S(=O)(=O)NC)cn2C)s1.
What is the InChIKey of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-methyl-4-(methylsulfamoyl)pyrrole-2-carboxamide?
The InChIKey is HAUQREISBLVVLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5O3S2/c1-4-9-14-15-11(20-9)13-10(17)8-5-7(6-16(8)3)21(18,19)12-2/h5-6,12H,4H2,1-3H3,(H,13,15,17).
What are the key properties of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-methyl-4-(methylsulfamoyl)pyrrole-2-carboxamide?
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-methyl-4-(methylsulfamoyl)pyrrole-2-carboxamide has a molecular weight of 329.41 g/mol, XLogP of 0.60, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-methyl-4-(methylsulfamoyl)pyrrole-2-carboxamide is sourced from PubChem (CID 29410809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).