3-[2-[(2-methyl-1,3-thiazol-5-yl)methylamino]ethyl]aniline

C13H17N3S — CID 65350320

IUPAC3-[2-[(2-methyl-1,3-thiazol-5-yl)methylamino]ethyl]aniline
SMILESCc1ncc(CNCCc2cccc(N)c2)s1
InChIInChI=1S/C13H17N3S/c1-10-16-9-13(17-10)8-15-6-5-11-3-2-4-12(14)7-11/h2-4,7,9,15H,5-6,8,14H2,1H3
InChIKeyOIUCFKQONHUNNX-UHFFFAOYSA-N
MW247.37 g/mol
LogP2.37
Rot. Bonds5

About 3-[2-[(2-methyl-1,3-thiazol-5-yl)methylamino]ethyl]aniline

3-[2-[(2-methyl-1,3-thiazol-5-yl)methylamino]ethyl]aniline (PubChem CID 65350320) has the molecular formula C13H17N3S and a molecular weight of 247.37 g/mol. Its IUPAC name is 3-[2-[(2-methyl-1,3-thiazol-5-yl)methylamino]ethyl]aniline.

Molecular Properties

Compound Name3-[2-[(2-methyl-1,3-thiazol-5-yl)methylamino]ethyl]aniline
PubChem CID65350320
Molecular FormulaC13H17N3S
Molecular Weight247.37 g/mol
Exact Mass247.11
IUPAC Name3-[2-[(2-methyl-1,3-thiazol-5-yl)methylamino]ethyl]aniline
SMILESCc1ncc(CNCCc2cccc(N)c2)s1
InChIInChI=1S/C13H17N3S/c1-10-16-9-13(17-10)8-15-6-5-11-3-2-4-12(14)7-11/h2-4,7,9,15H,5-6,8,14H2,1H3
InChIKeyOIUCFKQONHUNNX-UHFFFAOYSA-N
XLogP2.37
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.37
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-[2-[(2-methyl-1,3-thiazol-5-yl)methylamino]ethyl]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

3-[3-[(4,5-dimethylthiophen-2-yl)methylamino]propyl]aniline
CID 115342183
3-[2-[(4-bromothiophen-2-yl)methylamino]ethyl]aniline
CID 65348148
2-(2-methyl-1,3-thiazol-5-yl)-N-(pyridin-3-ylmethyl)ethanamine
CID 115747393
3-[3-[(5-ethylthiophen-2-yl)methylamino]propyl]aniline
CID 106012145
N,N-diethyl-5-[[2-(3-fluorophenyl)ethylamino]methyl]-1,3-thiazol-2-amine
CID 43777642
3-methyl-1-N-[(2-methyl-1,3-thiazol-5-yl)methyl]butane-1,3-diamine
CID 64677698
N'-[(2-methyl-1,3-thiazol-5-yl)methyl]butane-1,4-diamine
CID 60937078
N-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-(1,2,4-oxadiazol-3-yl)ethanamine
CID 106396072
1-[3-[(2-methylpropan-2-yl)oxymethyl]phenyl]-N-[(2-methyl-1,3-thiazol-5-yl)methyl]methanamine
CID 119107400
3-[2-(2-methylbutylamino)ethyl]aniline
CID 65347855
3-methylsulfonyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]propan-1-amine
CID 61019602
2-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]ethanamine
CID 103647951

Frequently Asked Questions

What is the IUPAC name of 3-[2-[(2-methyl-1,3-thiazol-5-yl)methylamino]ethyl]aniline?
The IUPAC name of 3-[2-[(2-methyl-1,3-thiazol-5-yl)methylamino]ethyl]aniline (CID 65350320) is 3-[2-[(2-methyl-1,3-thiazol-5-yl)methylamino]ethyl]aniline.
What is the SMILES notation for 3-[2-[(2-methyl-1,3-thiazol-5-yl)methylamino]ethyl]aniline?
The canonical SMILES for 3-[2-[(2-methyl-1,3-thiazol-5-yl)methylamino]ethyl]aniline is Cc1ncc(CNCCc2cccc(N)c2)s1.
What is the InChIKey of 3-[2-[(2-methyl-1,3-thiazol-5-yl)methylamino]ethyl]aniline?
The InChIKey is OIUCFKQONHUNNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3S/c1-10-16-9-13(17-10)8-15-6-5-11-3-2-4-12(14)7-11/h2-4,7,9,15H,5-6,8,14H2,1H3.
What are the key properties of 3-[2-[(2-methyl-1,3-thiazol-5-yl)methylamino]ethyl]aniline?
3-[2-[(2-methyl-1,3-thiazol-5-yl)methylamino]ethyl]aniline has a molecular weight of 247.37 g/mol, XLogP of 2.37, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(2-methyl-1,3-thiazol-5-yl)methylamino]ethyl]aniline is sourced from PubChem (CID 65350320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).