N-[5-[(1,2,5-trimethylpyrrol-3-yl)methylsulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide

C12H17N5O3S2 — CID 110642140

IUPACN-[5-[(1,2,5-trimethylpyrrol-3-yl)methylsulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide
SMILESCC(=O)Nc1nnc(S(=O)(=O)NCc2cc(C)n(C)c2C)s1
InChIInChI=1S/C12H17N5O3S2/c1-7-5-10(8(2)17(7)4)6-13-22(19,20)12-16-15-11(21-12)14-9(3)18/h5,13H,6H2,1-4H3,(H,14,15,18)
InChIKeyWYDTUOVVSFWFIN-UHFFFAOYSA-N
MW343.43 g/mol
LogP0.93
Rot. Bonds5

About N-[5-[(1,2,5-trimethylpyrrol-3-yl)methylsulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide

N-[5-[(1,2,5-trimethylpyrrol-3-yl)methylsulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide (PubChem CID 110642140) has the molecular formula C12H17N5O3S2 and a molecular weight of 343.43 g/mol. Its IUPAC name is N-[5-[(1,2,5-trimethylpyrrol-3-yl)methylsulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[5-[(1,2,5-trimethylpyrrol-3-yl)methylsulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide
PubChem CID110642140
Molecular FormulaC12H17N5O3S2
Molecular Weight343.43 g/mol
Exact Mass343.08
IUPAC NameN-[5-[(1,2,5-trimethylpyrrol-3-yl)methylsulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide
SMILESCC(=O)Nc1nnc(S(=O)(=O)NCc2cc(C)n(C)c2C)s1
InChIInChI=1S/C12H17N5O3S2/c1-7-5-10(8(2)17(7)4)6-13-22(19,20)12-16-15-11(21-12)14-9(3)18/h5,13H,6H2,1-4H3,(H,14,15,18)
InChIKeyWYDTUOVVSFWFIN-UHFFFAOYSA-N
XLogP0.93
TPSA105.98 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-acyl-2-amino-5-mercapto-1,3,4-_thiadiazole', 'substructure': 'N/A'}

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Related Compounds

N-[4-[(1,2,5-trimethylpyrrol-3-yl)methylsulfamoyl]phenyl]acetamide
CID 110642115
N-[5-[(3,4-dimethylphenyl)methylsulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide
CID 110779637
N-[5-[(5-methoxy-1-methylindol-3-yl)methylsulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide
CID 110371573
N-[5-[(5-methyl-1,3-thiazol-2-yl)methylsulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide
CID 110739067
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
3-[(5-acetamido-1,3,4-thiadiazol-2-yl)sulfonylamino]-2-hydroxypropanoic acid
CID 113383289
N-[5-[(2-methyl-1H-indol-5-yl)methylsulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide
CID 110427837
N-[5-(cyclohexylmethylsulfamoyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 100566485
N-[5-[(2-hydroxy-4-methylpentyl)sulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide
CID 107155397
N-[5-[(2,4-dichlorophenyl)methylsulfamoyl]-1,3,4-thiadiazol-2-yl]propanamide
CID 100568826
(5-acetamido-1,3,4-thiadiazol-2-yl)sulfonylazanide
CID 24906315

Frequently Asked Questions

What is the IUPAC name of N-[5-[(1,2,5-trimethylpyrrol-3-yl)methylsulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide?
The IUPAC name of N-[5-[(1,2,5-trimethylpyrrol-3-yl)methylsulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide (CID 110642140) is N-[5-[(1,2,5-trimethylpyrrol-3-yl)methylsulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide.
What is the SMILES notation for N-[5-[(1,2,5-trimethylpyrrol-3-yl)methylsulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide?
The canonical SMILES for N-[5-[(1,2,5-trimethylpyrrol-3-yl)methylsulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide is CC(=O)Nc1nnc(S(=O)(=O)NCc2cc(C)n(C)c2C)s1.
What is the InChIKey of N-[5-[(1,2,5-trimethylpyrrol-3-yl)methylsulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide?
The InChIKey is WYDTUOVVSFWFIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O3S2/c1-7-5-10(8(2)17(7)4)6-13-22(19,20)12-16-15-11(21-12)14-9(3)18/h5,13H,6H2,1-4H3,(H,14,15,18).
What are the key properties of N-[5-[(1,2,5-trimethylpyrrol-3-yl)methylsulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide?
N-[5-[(1,2,5-trimethylpyrrol-3-yl)methylsulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide has a molecular weight of 343.43 g/mol, XLogP of 0.93, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(1,2,5-trimethylpyrrol-3-yl)methylsulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide is sourced from PubChem (CID 110642140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).