N-[5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-1,3,4-thiadiazol-2-yl]acetamide

C13H14N4O3S2 — CID 56920904

IUPACN-[5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-1,3,4-thiadiazol-2-yl]acetamide
SMILESCC(=O)Nc1nnc(S(=O)(=O)N2CCCc3ccccc32)s1
InChIInChI=1S/C13H14N4O3S2/c1-9(18)14-12-15-16-13(21-12)22(19,20)17-8-4-6-10-5-2-3-7-11(10)17/h2-3,5,7H,4,6,8H2,1H3,(H,14,15,18)
InChIKeyAPIZSVJJTAEEAH-UHFFFAOYSA-N
MW338.41 g/mol
LogP1.64
Rot. Bonds3

About N-[5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-1,3,4-thiadiazol-2-yl]acetamide

N-[5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-1,3,4-thiadiazol-2-yl]acetamide (PubChem CID 56920904) has the molecular formula C13H14N4O3S2 and a molecular weight of 338.41 g/mol. Its IUPAC name is N-[5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-1,3,4-thiadiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-1,3,4-thiadiazol-2-yl]acetamide
PubChem CID56920904
Molecular FormulaC13H14N4O3S2
Molecular Weight338.41 g/mol
Exact Mass338.05
IUPAC NameN-[5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-1,3,4-thiadiazol-2-yl]acetamide
SMILESCC(=O)Nc1nnc(S(=O)(=O)N2CCCc3ccccc32)s1
InChIInChI=1S/C13H14N4O3S2/c1-9(18)14-12-15-16-13(21-12)22(19,20)17-8-4-6-10-5-2-3-7-11(10)17/h2-3,5,7H,4,6,8H2,1H3,(H,14,15,18)
InChIKeyAPIZSVJJTAEEAH-UHFFFAOYSA-N
XLogP1.64
TPSA92.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 51.64
H-Bond Donors ≤ 51
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-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-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-dihydro-2H-quinolin-1-ylsulfonyl)-1,3,4-thiadiazol-2-yl]-2-ethylbutanamide
CID 22517621
N-[5-[(5-pyrrolidin-1-yl-2,3-dihydroindol-1-yl)sulfonyl]-1,3,4-thiadiazol-2-yl]acetamide
CID 110316065
N-[5-(2,3-dihydroindol-1-ylsulfonyl)-1,3,4-thiadiazol-2-yl]furan-2-carboxamide
CID 22517604
N-(5-piperidin-1-ylsulfonyl-1,3,4-thiadiazol-2-yl)acetamide
CID 56919403
N-[5-[(6-methyl-4-oxo-2,3-dihydroquinolin-1-yl)sulfonyl]-1,3,4-thiadiazol-2-yl]acetamide
CID 110634940
2,2-dimethyl-N-[5-[[(2S)-2-methyl-2,3-dihydroindol-1-yl]sulfonyl]-1,3,4-thiadiazol-2-yl]propanamide
CID 100719590
N-[5-(4-pyridin-2-ylpiperazin-1-yl)sulfonyl-1,3,4-thiadiazol-2-yl]acetamide
CID 110300305
N-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]acetamide
CID 720099
1-methylsulfonyl-3,4-dihydro-2H-quinoline
CID 669103
N-[5-(1,3-oxazinan-3-ylsulfonyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 110739746
1-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)piperazin-1-yl]ethanone
CID 110865632
N-[5-(3-chloropyrrolidin-1-yl)sulfonyl-1,3,4-thiadiazol-2-yl]acetamide
CID 113383321

Frequently Asked Questions

What is the IUPAC name of N-[5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-1,3,4-thiadiazol-2-yl]acetamide?
The IUPAC name of N-[5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-1,3,4-thiadiazol-2-yl]acetamide (CID 56920904) is N-[5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-1,3,4-thiadiazol-2-yl]acetamide.
What is the SMILES notation for N-[5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-1,3,4-thiadiazol-2-yl]acetamide?
The canonical SMILES for N-[5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-1,3,4-thiadiazol-2-yl]acetamide is CC(=O)Nc1nnc(S(=O)(=O)N2CCCc3ccccc32)s1.
What is the InChIKey of N-[5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-1,3,4-thiadiazol-2-yl]acetamide?
The InChIKey is APIZSVJJTAEEAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O3S2/c1-9(18)14-12-15-16-13(21-12)22(19,20)17-8-4-6-10-5-2-3-7-11(10)17/h2-3,5,7H,4,6,8H2,1H3,(H,14,15,18).
What are the key properties of N-[5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-1,3,4-thiadiazol-2-yl]acetamide?
N-[5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-1,3,4-thiadiazol-2-yl]acetamide has a molecular weight of 338.41 g/mol, XLogP of 1.64, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-1,3,4-thiadiazol-2-yl]acetamide is sourced from PubChem (CID 56920904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).