3-fluoro-2-(2-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)aniline

C13H11FN4S — CID 62733008

IUPAC3-fluoro-2-(2-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)aniline
SMILESCn1nc(-c2cccs2)nc1-c1c(N)cccc1F
InChIInChI=1S/C13H11FN4S/c1-18-13(11-8(14)4-2-5-9(11)15)16-12(17-18)10-6-3-7-19-10/h2-7H,15H2,1H3
InChIKeyLCFKMBWHVCHPPC-UHFFFAOYSA-N
MW274.32 g/mol
LogP2.93
Rot. Bonds2

About 3-fluoro-2-(2-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)aniline

3-fluoro-2-(2-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)aniline (PubChem CID 62733008) has the molecular formula C13H11FN4S and a molecular weight of 274.32 g/mol. Its IUPAC name is 3-fluoro-2-(2-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)aniline.

Molecular Properties

Compound Name3-fluoro-2-(2-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)aniline
PubChem CID62733008
Molecular FormulaC13H11FN4S
Molecular Weight274.32 g/mol
Exact Mass274.07
IUPAC Name3-fluoro-2-(2-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)aniline
SMILESCn1nc(-c2cccs2)nc1-c1c(N)cccc1F
InChIInChI=1S/C13H11FN4S/c1-18-13(11-8(14)4-2-5-9(11)15)16-12(17-18)10-6-3-7-19-10/h2-7H,15H2,1H3
InChIKeyLCFKMBWHVCHPPC-UHFFFAOYSA-N
XLogP2.93
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-fluoro-2-(2-methyl-5-thiophen-2-yl-1,2,4-triazol-3-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

4,5-difluoro-2-(2-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)aniline
CID 62867498
4-(2-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)aniline
CID 62733759
4-methyl-3-(2-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)aniline
CID 63654749
4-methyl-5-(2-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)thiophen-2-amine
CID 62732446
3-methyl-4-(2-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)aniline
CID 62734324
2-(5-ethyl-2-methyl-1,2,4-triazol-3-yl)-3-fluoroaniline
CID 62722488
2-thiophen-2-ylbenzene-1,3-diamine
CID 69383856
3-[(2-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)methyl]aniline
CID 65345528
1,3-dimethyl-5-thiophen-2-ylpyrazolo[4,5-d]pyrimidin-7-amine
CID 142691977
3,3-dimethyl-5-(2-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)pentan-1-amine
CID 65285410
1-(2-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)cyclopentan-1-amine
CID 62733191
3-(2,6-difluorophenyl)-1,5-dimethyl-1,2,4-triazole
CID 23544396

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2-(2-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)aniline?
The IUPAC name of 3-fluoro-2-(2-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)aniline (CID 62733008) is 3-fluoro-2-(2-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)aniline.
What is the SMILES notation for 3-fluoro-2-(2-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)aniline?
The canonical SMILES for 3-fluoro-2-(2-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)aniline is Cn1nc(-c2cccs2)nc1-c1c(N)cccc1F.
What is the InChIKey of 3-fluoro-2-(2-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)aniline?
The InChIKey is LCFKMBWHVCHPPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11FN4S/c1-18-13(11-8(14)4-2-5-9(11)15)16-12(17-18)10-6-3-7-19-10/h2-7H,15H2,1H3.
What are the key properties of 3-fluoro-2-(2-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)aniline?
3-fluoro-2-(2-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)aniline has a molecular weight of 274.32 g/mol, XLogP of 2.93, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-2-(2-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)aniline is sourced from PubChem (CID 62733008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).