4-[3-(2-methoxyethoxy)-5-thiophen-2-yl-1,2,4-triazol-1-yl]aniline

C15H16N4O2S — CID 42779271

IUPAC4-[3-(2-methoxyethoxy)-5-thiophen-2-yl-1,2,4-triazol-1-yl]aniline
SMILESCOCCOc1nc(-c2cccs2)n(-c2ccc(N)cc2)n1
InChIInChI=1S/C15H16N4O2S/c1-20-8-9-21-15-17-14(13-3-2-10-22-13)19(18-15)12-6-4-11(16)5-7-12/h2-7,10H,8-9,16H2,1H3
InChIKeyFLSDBAPNQORQQY-UHFFFAOYSA-N
MW316.39 g/mol
LogP2.60
Rot. Bonds6

About 4-[3-(2-methoxyethoxy)-5-thiophen-2-yl-1,2,4-triazol-1-yl]aniline

4-[3-(2-methoxyethoxy)-5-thiophen-2-yl-1,2,4-triazol-1-yl]aniline (PubChem CID 42779271) has the molecular formula C15H16N4O2S and a molecular weight of 316.39 g/mol. Its IUPAC name is 4-[3-(2-methoxyethoxy)-5-thiophen-2-yl-1,2,4-triazol-1-yl]aniline.

Molecular Properties

Compound Name4-[3-(2-methoxyethoxy)-5-thiophen-2-yl-1,2,4-triazol-1-yl]aniline
PubChem CID42779271
Molecular FormulaC15H16N4O2S
Molecular Weight316.39 g/mol
Exact Mass316.10
IUPAC Name4-[3-(2-methoxyethoxy)-5-thiophen-2-yl-1,2,4-triazol-1-yl]aniline
SMILESCOCCOc1nc(-c2cccs2)n(-c2ccc(N)cc2)n1
InChIInChI=1S/C15H16N4O2S/c1-20-8-9-21-15-17-14(13-3-2-10-22-13)19(18-15)12-6-4-11(16)5-7-12/h2-7,10H,8-9,16H2,1H3
InChIKeyFLSDBAPNQORQQY-UHFFFAOYSA-N
XLogP2.60
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.39
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 4-[3-(2-methoxyethoxy)-5-thiophen-2-yl-1,2,4-triazol-1-yl]aniline 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-[3-(2-methoxyethoxy)-5-(4-methylphenyl)-1,2,4-triazol-1-yl]phenyl]thiophene-2-carboxamide
CID 5012051
N-[4-[3-[2-(4-methoxyphenyl)ethoxy]-5-thiophen-2-yl-1,2,4-triazol-1-yl]phenyl]-3,3-dimethylbutanamide
CID 46134154
N-[4-[5-(2-fluorophenyl)-3-(2-methoxyethoxy)-1,2,4-triazol-1-yl]phenyl]thiophene-2-carboxamide
CID 46134218
1-[4-[3-(2-ethoxyethoxy)-5-thiophen-2-yl-1,2,4-triazol-1-yl]anilino]-3-phenylmethoxypropan-2-ol
CID 46014117
methyl 1-phenyl-5-thiophen-2-yl-1,2,4-triazole-3-carboxylate
CID 13411643
methyl 2-[[1-(4-fluorophenyl)-5-thiophen-2-yl-1,2,4-triazole-3-carbonyl]amino]-2-phenylacetate
CID 60610067
N-benzyl-N-(2-methoxyethyl)-1-phenyl-5-thiophen-2-yl-1,2,4-triazole-3-carboxamide
CID 35145720
1-[4-[3-(2-methoxyethoxy)-5-(2-methylphenyl)-1,2,4-triazol-1-yl]anilino]propan-2-ol
CID 42838549
N-[4-[3-(2-methoxyethoxy)-5-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]phenyl]acetamide
CID 42778616
N-[2-(2-fluorophenoxy)ethyl]-1-(4-fluorophenyl)-5-thiophen-2-yl-1,2,4-triazole-3-carboxamide
CID 18289313
4-[5-(2-fluorophenyl)-3-(2-methylpropoxy)-1,2,4-triazol-1-yl]aniline
CID 3465458
N-[4-(3-amino-3-oxopropoxy)phenyl]-1-(4-fluorophenyl)-5-thiophen-2-yl-1,2,4-triazole-3-carboxamide
CID 55727870

Frequently Asked Questions

What is the IUPAC name of 4-[3-(2-methoxyethoxy)-5-thiophen-2-yl-1,2,4-triazol-1-yl]aniline?
The IUPAC name of 4-[3-(2-methoxyethoxy)-5-thiophen-2-yl-1,2,4-triazol-1-yl]aniline (CID 42779271) is 4-[3-(2-methoxyethoxy)-5-thiophen-2-yl-1,2,4-triazol-1-yl]aniline.
What is the SMILES notation for 4-[3-(2-methoxyethoxy)-5-thiophen-2-yl-1,2,4-triazol-1-yl]aniline?
The canonical SMILES for 4-[3-(2-methoxyethoxy)-5-thiophen-2-yl-1,2,4-triazol-1-yl]aniline is COCCOc1nc(-c2cccs2)n(-c2ccc(N)cc2)n1.
What is the InChIKey of 4-[3-(2-methoxyethoxy)-5-thiophen-2-yl-1,2,4-triazol-1-yl]aniline?
The InChIKey is FLSDBAPNQORQQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O2S/c1-20-8-9-21-15-17-14(13-3-2-10-22-13)19(18-15)12-6-4-11(16)5-7-12/h2-7,10H,8-9,16H2,1H3.
What are the key properties of 4-[3-(2-methoxyethoxy)-5-thiophen-2-yl-1,2,4-triazol-1-yl]aniline?
4-[3-(2-methoxyethoxy)-5-thiophen-2-yl-1,2,4-triazol-1-yl]aniline has a molecular weight of 316.39 g/mol, XLogP of 2.60, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(2-methoxyethoxy)-5-thiophen-2-yl-1,2,4-triazol-1-yl]aniline is sourced from PubChem (CID 42779271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).