N-[(3-amino-4-methoxyphenyl)methyl]-4-ethylthiadiazole-5-carboxamide

C13H16N4O2S — CID 65205969

IUPACN-[(3-amino-4-methoxyphenyl)methyl]-4-ethylthiadiazole-5-carboxamide
SMILESCCc1nnsc1C(=O)NCc1ccc(OC)c(N)c1
InChIInChI=1S/C13H16N4O2S/c1-3-10-12(20-17-16-10)13(18)15-7-8-4-5-11(19-2)9(14)6-8/h4-6H,3,7,14H2,1-2H3,(H,15,18)
InChIKeySDFYYADYXMRRRR-UHFFFAOYSA-N
MW292.36 g/mol
LogP1.62
Rot. Bonds5

About N-[(3-amino-4-methoxyphenyl)methyl]-4-ethylthiadiazole-5-carboxamide

N-[(3-amino-4-methoxyphenyl)methyl]-4-ethylthiadiazole-5-carboxamide (PubChem CID 65205969) has the molecular formula C13H16N4O2S and a molecular weight of 292.36 g/mol. Its IUPAC name is N-[(3-amino-4-methoxyphenyl)methyl]-4-ethylthiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-[(3-amino-4-methoxyphenyl)methyl]-4-ethylthiadiazole-5-carboxamide
PubChem CID65205969
Molecular FormulaC13H16N4O2S
Molecular Weight292.36 g/mol
Exact Mass292.10
IUPAC NameN-[(3-amino-4-methoxyphenyl)methyl]-4-ethylthiadiazole-5-carboxamide
SMILESCCc1nnsc1C(=O)NCc1ccc(OC)c(N)c1
InChIInChI=1S/C13H16N4O2S/c1-3-10-12(20-17-16-10)13(18)15-7-8-4-5-11(19-2)9(14)6-8/h4-6H,3,7,14H2,1-2H3,(H,15,18)
InChIKeySDFYYADYXMRRRR-UHFFFAOYSA-N
XLogP1.62
TPSA90.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.36
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze N-[(3-amino-4-methoxyphenyl)methyl]-4-ethylthiadiazole-5-carboxamide 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-[(4-aminophenyl)methyl]-4-ethylthiadiazole-5-carboxamide
CID 65205922
N-[2-(3,4-dimethoxyphenyl)ethyl]-4-ethylthiadiazole-5-carboxamide
CID 9404499
N-[(5-bromo-2-methoxyphenyl)methyl]-4-ethylthiadiazole-5-carboxamide
CID 49172868
N-(4-amino-2-methoxyphenyl)-4-ethylthiadiazole-5-carboxamide
CID 65206339
N-[(3-acetamidophenyl)methyl]-4-ethylthiadiazole-5-carboxamide
CID 39573959
N-(2-amino-5-methoxyphenyl)-4-ethylthiadiazole-5-carboxamide
CID 65210588
N-[(3-amino-4-methoxyphenyl)methyl]-5-bromopyridine-3-carboxamide
CID 60972248
N-[(3-amino-4-methoxyphenyl)methyl]-2,6-dimethylbenzamide
CID 107999896
N-[(3-amino-4-methoxyphenyl)methyl]-2-hydroxybenzamide
CID 60973203
N-[(3-amino-4-methoxyphenyl)methyl]-4-chlorobenzamide
CID 60973085
4-ethyl-N-[[2-(methoxymethyl)phenyl]methyl]thiadiazole-5-carboxamide
CID 33067113
N-[(3-amino-4-methoxyphenyl)methyl]-2,2-dimethylbutanamide
CID 62678934

Frequently Asked Questions

What is the IUPAC name of N-[(3-amino-4-methoxyphenyl)methyl]-4-ethylthiadiazole-5-carboxamide?
The IUPAC name of N-[(3-amino-4-methoxyphenyl)methyl]-4-ethylthiadiazole-5-carboxamide (CID 65205969) is N-[(3-amino-4-methoxyphenyl)methyl]-4-ethylthiadiazole-5-carboxamide.
What is the SMILES notation for N-[(3-amino-4-methoxyphenyl)methyl]-4-ethylthiadiazole-5-carboxamide?
The canonical SMILES for N-[(3-amino-4-methoxyphenyl)methyl]-4-ethylthiadiazole-5-carboxamide is CCc1nnsc1C(=O)NCc1ccc(OC)c(N)c1.
What is the InChIKey of N-[(3-amino-4-methoxyphenyl)methyl]-4-ethylthiadiazole-5-carboxamide?
The InChIKey is SDFYYADYXMRRRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O2S/c1-3-10-12(20-17-16-10)13(18)15-7-8-4-5-11(19-2)9(14)6-8/h4-6H,3,7,14H2,1-2H3,(H,15,18).
What are the key properties of N-[(3-amino-4-methoxyphenyl)methyl]-4-ethylthiadiazole-5-carboxamide?
N-[(3-amino-4-methoxyphenyl)methyl]-4-ethylthiadiazole-5-carboxamide has a molecular weight of 292.36 g/mol, XLogP of 1.62, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-amino-4-methoxyphenyl)methyl]-4-ethylthiadiazole-5-carboxamide is sourced from PubChem (CID 65205969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).