N,2-dimethyl-4-(methylaminomethyl)-N-(1,3-thiazol-4-ylmethyl)aniline

C14H19N3S — CID 55040318

IUPACN,2-dimethyl-4-(methylaminomethyl)-N-(1,3-thiazol-4-ylmethyl)aniline
SMILESCNCc1ccc(N(C)Cc2cscn2)c(C)c1
InChIInChI=1S/C14H19N3S/c1-11-6-12(7-15-2)4-5-14(11)17(3)8-13-9-18-10-16-13/h4-6,9-10,15H,7-8H2,1-3H3
InChIKeyVSCHJNLYXUELAB-UHFFFAOYSA-N
MW261.39 g/mol
LogP2.81
Rot. Bonds5

About N,2-dimethyl-4-(methylaminomethyl)-N-(1,3-thiazol-4-ylmethyl)aniline

N,2-dimethyl-4-(methylaminomethyl)-N-(1,3-thiazol-4-ylmethyl)aniline (PubChem CID 55040318) has the molecular formula C14H19N3S and a molecular weight of 261.39 g/mol. Its IUPAC name is N,2-dimethyl-4-(methylaminomethyl)-N-(1,3-thiazol-4-ylmethyl)aniline.

Molecular Properties

Compound NameN,2-dimethyl-4-(methylaminomethyl)-N-(1,3-thiazol-4-ylmethyl)aniline
PubChem CID55040318
Molecular FormulaC14H19N3S
Molecular Weight261.39 g/mol
Exact Mass261.13
IUPAC NameN,2-dimethyl-4-(methylaminomethyl)-N-(1,3-thiazol-4-ylmethyl)aniline
SMILESCNCc1ccc(N(C)Cc2cscn2)c(C)c1
InChIInChI=1S/C14H19N3S/c1-11-6-12(7-15-2)4-5-14(11)17(3)8-13-9-18-10-16-13/h4-6,9-10,15H,7-8H2,1-3H3
InChIKeyVSCHJNLYXUELAB-UHFFFAOYSA-N
XLogP2.81
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.39
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Related Compounds

N,2-dimethyl-4-[(2-methylpropylamino)methyl]-N-(1,3-thiazol-4-ylmethyl)aniline
CID 63069776
4-(aminomethyl)-N,2-dimethyl-N-(1,3-thiazol-4-ylmethyl)aniline
CID 55209219
2-fluoro-N-methyl-4-[(2-methylpropylamino)methyl]-N-(1,3-thiazol-4-ylmethyl)aniline
CID 63072263
3-chloro-N-methyl-5-(methylaminomethyl)-N-(1,3-thiazol-4-ylmethyl)pyridin-2-amine
CID 62282315
5-[(tert-butylamino)methyl]-N,3-dimethyl-N-(1,3-thiazol-4-ylmethyl)pyridin-2-amine
CID 80636496
1-(4-fluoro-3-methylphenyl)-N-(1,3-thiazol-4-ylmethyl)methanamine
CID 60721482
N-methyl-3-(methylaminomethyl)-N-(1,3-thiazol-4-ylmethyl)pyridin-2-amine
CID 62282140
N,2-dimethyl-4-(methylaminomethyl)-N-(2-methylsulfanylethyl)aniline
CID 112662210
2-(aminomethyl)-4-fluoro-N-methyl-N-(1,3-thiazol-4-ylmethyl)aniline
CID 55012212
4-(ethylaminomethyl)-N-methyl-N-(1,3-thiazol-4-ylmethyl)pyridin-3-amine
CID 105073172
N-methyl-4-[(2-methylpropylamino)methyl]-N-(1,3-thiazol-4-ylmethyl)aniline
CID 63070347
2,3-difluoro-4-[methyl(1,3-thiazol-4-ylmethyl)amino]benzoic acid
CID 107935631

Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-4-(methylaminomethyl)-N-(1,3-thiazol-4-ylmethyl)aniline?
The IUPAC name of N,2-dimethyl-4-(methylaminomethyl)-N-(1,3-thiazol-4-ylmethyl)aniline (CID 55040318) is N,2-dimethyl-4-(methylaminomethyl)-N-(1,3-thiazol-4-ylmethyl)aniline.
What is the SMILES notation for N,2-dimethyl-4-(methylaminomethyl)-N-(1,3-thiazol-4-ylmethyl)aniline?
The canonical SMILES for N,2-dimethyl-4-(methylaminomethyl)-N-(1,3-thiazol-4-ylmethyl)aniline is CNCc1ccc(N(C)Cc2cscn2)c(C)c1.
What is the InChIKey of N,2-dimethyl-4-(methylaminomethyl)-N-(1,3-thiazol-4-ylmethyl)aniline?
The InChIKey is VSCHJNLYXUELAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3S/c1-11-6-12(7-15-2)4-5-14(11)17(3)8-13-9-18-10-16-13/h4-6,9-10,15H,7-8H2,1-3H3.
What are the key properties of N,2-dimethyl-4-(methylaminomethyl)-N-(1,3-thiazol-4-ylmethyl)aniline?
N,2-dimethyl-4-(methylaminomethyl)-N-(1,3-thiazol-4-ylmethyl)aniline has a molecular weight of 261.39 g/mol, XLogP of 2.81, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-4-(methylaminomethyl)-N-(1,3-thiazol-4-ylmethyl)aniline is sourced from PubChem (CID 55040318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).