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

C14H15N5O3S2 — CID 110427837

IUPACN-[5-[(2-methyl-1H-indol-5-yl)methylsulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide
SMILESCC(=O)Nc1nnc(S(=O)(=O)NCc2ccc3[nH]c(C)cc3c2)s1
InChIInChI=1S/C14H15N5O3S2/c1-8-5-11-6-10(3-4-12(11)16-8)7-15-24(21,22)14-19-18-13(23-14)17-9(2)20/h3-6,15-16H,7H2,1-2H3,(H,17,18,20)
InChIKeyLZOVCXHYGPFWFK-UHFFFAOYSA-N
MW365.44 g/mol
LogP1.76
Rot. Bonds5

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

N-[5-[(2-methyl-1H-indol-5-yl)methylsulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide (PubChem CID 110427837) has the molecular formula C14H15N5O3S2 and a molecular weight of 365.44 g/mol. Its IUPAC name is N-[5-[(2-methyl-1H-indol-5-yl)methylsulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[5-[(2-methyl-1H-indol-5-yl)methylsulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide
PubChem CID110427837
Molecular FormulaC14H15N5O3S2
Molecular Weight365.44 g/mol
Exact Mass365.06
IUPAC NameN-[5-[(2-methyl-1H-indol-5-yl)methylsulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide
SMILESCC(=O)Nc1nnc(S(=O)(=O)NCc2ccc3[nH]c(C)cc3c2)s1
InChIInChI=1S/C14H15N5O3S2/c1-8-5-11-6-10(3-4-12(11)16-8)7-15-24(21,22)14-19-18-13(23-14)17-9(2)20/h3-6,15-16H,7H2,1-2H3,(H,17,18,20)
InChIKeyLZOVCXHYGPFWFK-UHFFFAOYSA-N
XLogP1.76
TPSA116.84 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.44
LogP ≤ 51.76
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'}

Analyze N-[5-[(2-methyl-1H-indol-5-yl)methylsulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[5-[(3,4-dimethylphenyl)methylsulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide
CID 110779637
N-[5-[(5-methyl-1,3-thiazol-2-yl)methylsulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide
CID 110739067
4-ethyl-N-[(2-methyl-1H-indol-5-yl)methyl]benzenesulfonamide
CID 110427789
N-[5-(thiophen-2-ylmethylsulfamoyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 110779516
N-[5-[(1,2,5-trimethylpyrrol-3-yl)methylsulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide
CID 110642140
N-[(2-methyl-1H-indol-5-yl)methyl]-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide
CID 110427842
(2-methyl-1H-indol-5-yl)methylcarbamic acid
CID 118078535
N-[(2-methyl-1H-indol-5-yl)methyl]-1-(4-methylphenyl)methanesulfonamide
CID 110427813
N-[5-[(3-methylphenyl)methylsulfamoyl]-1,3,4-thiadiazol-2-yl]benzamide
CID 100572681
N-[5-[(3,4-dimethoxyphenyl)methylsulfamoyl]-1,3,4-thiadiazol-2-yl]-4-methylbenzamide
CID 100556611
N-[5-(1,3-thiazol-2-ylmethylsulfamoyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 110738901
N-[5-[[3-(2-oxopyrrolidin-1-yl)phenyl]methylsulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide
CID 100576928

Frequently Asked Questions

What is the IUPAC name of N-[5-[(2-methyl-1H-indol-5-yl)methylsulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide?
The IUPAC name of N-[5-[(2-methyl-1H-indol-5-yl)methylsulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide (CID 110427837) is N-[5-[(2-methyl-1H-indol-5-yl)methylsulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide.
What is the SMILES notation for N-[5-[(2-methyl-1H-indol-5-yl)methylsulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide?
The canonical SMILES for N-[5-[(2-methyl-1H-indol-5-yl)methylsulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide is CC(=O)Nc1nnc(S(=O)(=O)NCc2ccc3[nH]c(C)cc3c2)s1.
What is the InChIKey of N-[5-[(2-methyl-1H-indol-5-yl)methylsulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide?
The InChIKey is LZOVCXHYGPFWFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5O3S2/c1-8-5-11-6-10(3-4-12(11)16-8)7-15-24(21,22)14-19-18-13(23-14)17-9(2)20/h3-6,15-16H,7H2,1-2H3,(H,17,18,20).
What are the key properties of N-[5-[(2-methyl-1H-indol-5-yl)methylsulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide?
N-[5-[(2-methyl-1H-indol-5-yl)methylsulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide has a molecular weight of 365.44 g/mol, XLogP of 1.76, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(2-methyl-1H-indol-5-yl)methylsulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide is sourced from PubChem (CID 110427837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).