N-[5-(1H-indol-4-ylsulfamoyl)-1,3,4-thiadiazol-2-yl]acetamide

C12H11N5O3S2 — CID 110730988

IUPACN-[5-(1H-indol-4-ylsulfamoyl)-1,3,4-thiadiazol-2-yl]acetamide
SMILESCC(=O)Nc1nnc(S(=O)(=O)Nc2cccc3[nH]ccc23)s1
InChIInChI=1S/C12H11N5O3S2/c1-7(18)14-11-15-16-12(21-11)22(19,20)17-10-4-2-3-9-8(10)5-6-13-9/h2-6,13,17H,1H3,(H,14,15,18)
InChIKeyGQHGNFPESXLHDW-UHFFFAOYSA-N
MW337.39 g/mol
LogP1.78
Rot. Bonds4

About N-[5-(1H-indol-4-ylsulfamoyl)-1,3,4-thiadiazol-2-yl]acetamide

N-[5-(1H-indol-4-ylsulfamoyl)-1,3,4-thiadiazol-2-yl]acetamide (PubChem CID 110730988) has the molecular formula C12H11N5O3S2 and a molecular weight of 337.39 g/mol. Its IUPAC name is N-[5-(1H-indol-4-ylsulfamoyl)-1,3,4-thiadiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[5-(1H-indol-4-ylsulfamoyl)-1,3,4-thiadiazol-2-yl]acetamide
PubChem CID110730988
Molecular FormulaC12H11N5O3S2
Molecular Weight337.39 g/mol
Exact Mass337.03
IUPAC NameN-[5-(1H-indol-4-ylsulfamoyl)-1,3,4-thiadiazol-2-yl]acetamide
SMILESCC(=O)Nc1nnc(S(=O)(=O)Nc2cccc3[nH]ccc23)s1
InChIInChI=1S/C12H11N5O3S2/c1-7(18)14-11-15-16-12(21-11)22(19,20)17-10-4-2-3-9-8(10)5-6-13-9/h2-6,13,17H,1H3,(H,14,15,18)
InChIKeyGQHGNFPESXLHDW-UHFFFAOYSA-N
XLogP1.78
TPSA116.84 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.39
LogP ≤ 51.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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-[5-[(2,6-dichlorophenyl)sulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide
CID 110300325
N-[5-[(2-fluorophenyl)sulfamoyl]-1,3,4-thiadiazol-2-yl]-2-methylpropanamide
CID 100673658
N-[5-[(2,3-dimethylphenyl)sulfamoyl]-1,3,4-thiadiazol-2-yl]-2,2-dimethylpropanamide
CID 100769210
N-[5-[(4-bromo-2-pyridinyl)sulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide
CID 102820677
N-(1H-indol-4-yl)-3,4-dimethylbenzenesulfonamide
CID 47093112
N-[5-[[3-(4-tert-butylbenzoyl)phenyl]sulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide
CID 100577496
N-[5-[(6-phenyl-3-pyridinyl)sulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide
CID 110634809
2-[(5-acetamido-1,3,4-thiadiazol-2-yl)sulfonylamino]-N-(oxolan-2-ylmethyl)benzamide
CID 133184310
(5-acetamido-1,3,4-thiadiazol-2-yl)sulfonylazanide
CID 24906315
N-[5-[[(1S)-1-phenylethyl]sulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide
CID 133187007
N-[5-[(4-chloro-2-pyridinyl)sulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide
CID 104821754
N-[5-[(3-morpholin-4-ylphenyl)sulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide
CID 110362427

Frequently Asked Questions

What is the IUPAC name of N-[5-(1H-indol-4-ylsulfamoyl)-1,3,4-thiadiazol-2-yl]acetamide?
The IUPAC name of N-[5-(1H-indol-4-ylsulfamoyl)-1,3,4-thiadiazol-2-yl]acetamide (CID 110730988) is N-[5-(1H-indol-4-ylsulfamoyl)-1,3,4-thiadiazol-2-yl]acetamide.
What is the SMILES notation for N-[5-(1H-indol-4-ylsulfamoyl)-1,3,4-thiadiazol-2-yl]acetamide?
The canonical SMILES for N-[5-(1H-indol-4-ylsulfamoyl)-1,3,4-thiadiazol-2-yl]acetamide is CC(=O)Nc1nnc(S(=O)(=O)Nc2cccc3[nH]ccc23)s1.
What is the InChIKey of N-[5-(1H-indol-4-ylsulfamoyl)-1,3,4-thiadiazol-2-yl]acetamide?
The InChIKey is GQHGNFPESXLHDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N5O3S2/c1-7(18)14-11-15-16-12(21-11)22(19,20)17-10-4-2-3-9-8(10)5-6-13-9/h2-6,13,17H,1H3,(H,14,15,18).
What are the key properties of N-[5-(1H-indol-4-ylsulfamoyl)-1,3,4-thiadiazol-2-yl]acetamide?
N-[5-(1H-indol-4-ylsulfamoyl)-1,3,4-thiadiazol-2-yl]acetamide has a molecular weight of 337.39 g/mol, XLogP of 1.78, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(1H-indol-4-ylsulfamoyl)-1,3,4-thiadiazol-2-yl]acetamide is sourced from PubChem (CID 110730988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).