N-(2-amino-5-methoxyphenyl)-4-ethylthiadiazole-5-carboxamide

C12H14N4O2S — CID 65210588

IUPACN-(2-amino-5-methoxyphenyl)-4-ethylthiadiazole-5-carboxamide
SMILESCCc1nnsc1C(=O)Nc1cc(OC)ccc1N
InChIInChI=1S/C12H14N4O2S/c1-3-9-11(19-16-15-9)12(17)14-10-6-7(18-2)4-5-8(10)13/h4-6H,3,13H2,1-2H3,(H,14,17)
InChIKeyUKHBQFWVFHXTJV-UHFFFAOYSA-N
MW278.34 g/mol
LogP1.94
Rot. Bonds4

About N-(2-amino-5-methoxyphenyl)-4-ethylthiadiazole-5-carboxamide

N-(2-amino-5-methoxyphenyl)-4-ethylthiadiazole-5-carboxamide (PubChem CID 65210588) has the molecular formula C12H14N4O2S and a molecular weight of 278.34 g/mol. Its IUPAC name is N-(2-amino-5-methoxyphenyl)-4-ethylthiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-(2-amino-5-methoxyphenyl)-4-ethylthiadiazole-5-carboxamide
PubChem CID65210588
Molecular FormulaC12H14N4O2S
Molecular Weight278.34 g/mol
Exact Mass278.08
IUPAC NameN-(2-amino-5-methoxyphenyl)-4-ethylthiadiazole-5-carboxamide
SMILESCCc1nnsc1C(=O)Nc1cc(OC)ccc1N
InChIInChI=1S/C12H14N4O2S/c1-3-9-11(19-16-15-9)12(17)14-10-6-7(18-2)4-5-8(10)13/h4-6H,3,13H2,1-2H3,(H,14,17)
InChIKeyUKHBQFWVFHXTJV-UHFFFAOYSA-N
XLogP1.94
TPSA90.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.34
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-(2-amino-5-methoxyphenyl)-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-(2-amino-5-methoxyphenyl)-4-propylthiadiazole-5-carboxamide
CID 65210587
N-(2-amino-5-methoxyphenyl)-4-propan-2-ylthiadiazole-5-carboxamide
CID 65204688
N-(4-amino-2-methoxyphenyl)-4-ethylthiadiazole-5-carboxamide
CID 65206339
N-(3-amino-4-methoxyphenyl)-4-ethylthiadiazole-5-carboxamide
CID 65210172
N-(3-amino-4-ethylphenyl)-4-ethylthiadiazole-5-carboxamide
CID 65205872
N-(2-amino-5-methoxyphenyl)-4-methyl-2-propyl-1,3-thiazole-5-carboxamide
CID 119421156
N-(2-amino-6-methylphenyl)-4-ethylthiadiazole-5-carboxamide
CID 65206156
N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-4-ethylthiadiazole-5-carboxamide
CID 9192852
5-[(4-ethylthiadiazole-5-carbonyl)amino]-2,4-difluorobenzoic acid
CID 60748340
N-(2-amino-4,6-dibromophenyl)-4-ethylthiadiazole-5-carboxamide
CID 65206158
N-(2-bromo-4-sulfamoylphenyl)-4-ethylthiadiazole-5-carboxamide
CID 65210041
N-(2-amino-5-methoxyphenyl)-5-methylthiophene-2-carboxamide
CID 63258266

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-5-methoxyphenyl)-4-ethylthiadiazole-5-carboxamide?
The IUPAC name of N-(2-amino-5-methoxyphenyl)-4-ethylthiadiazole-5-carboxamide (CID 65210588) is N-(2-amino-5-methoxyphenyl)-4-ethylthiadiazole-5-carboxamide.
What is the SMILES notation for N-(2-amino-5-methoxyphenyl)-4-ethylthiadiazole-5-carboxamide?
The canonical SMILES for N-(2-amino-5-methoxyphenyl)-4-ethylthiadiazole-5-carboxamide is CCc1nnsc1C(=O)Nc1cc(OC)ccc1N.
What is the InChIKey of N-(2-amino-5-methoxyphenyl)-4-ethylthiadiazole-5-carboxamide?
The InChIKey is UKHBQFWVFHXTJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O2S/c1-3-9-11(19-16-15-9)12(17)14-10-6-7(18-2)4-5-8(10)13/h4-6H,3,13H2,1-2H3,(H,14,17).
What are the key properties of N-(2-amino-5-methoxyphenyl)-4-ethylthiadiazole-5-carboxamide?
N-(2-amino-5-methoxyphenyl)-4-ethylthiadiazole-5-carboxamide has a molecular weight of 278.34 g/mol, XLogP of 1.94, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-5-methoxyphenyl)-4-ethylthiadiazole-5-carboxamide is sourced from PubChem (CID 65210588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).