N,4-dimethyl-N-[[2-(methylaminomethyl)-1,3-thiazol-4-yl]methyl]aniline

C14H19N3S — CID 62429443

IUPACN,4-dimethyl-N-[[2-(methylaminomethyl)-1,3-thiazol-4-yl]methyl]aniline
SMILESCNCc1nc(CN(C)c2ccc(C)cc2)cs1
InChIInChI=1S/C14H19N3S/c1-11-4-6-13(7-5-11)17(3)9-12-10-18-14(16-12)8-15-2/h4-7,10,15H,8-9H2,1-3H3
InChIKeyVBMMLVILYAJMGW-UHFFFAOYSA-N
MW261.39 g/mol
LogP2.81
Rot. Bonds5

About N,4-dimethyl-N-[[2-(methylaminomethyl)-1,3-thiazol-4-yl]methyl]aniline

N,4-dimethyl-N-[[2-(methylaminomethyl)-1,3-thiazol-4-yl]methyl]aniline (PubChem CID 62429443) has the molecular formula C14H19N3S and a molecular weight of 261.39 g/mol. Its IUPAC name is N,4-dimethyl-N-[[2-(methylaminomethyl)-1,3-thiazol-4-yl]methyl]aniline.

Molecular Properties

Compound NameN,4-dimethyl-N-[[2-(methylaminomethyl)-1,3-thiazol-4-yl]methyl]aniline
PubChem CID62429443
Molecular FormulaC14H19N3S
Molecular Weight261.39 g/mol
Exact Mass261.13
IUPAC NameN,4-dimethyl-N-[[2-(methylaminomethyl)-1,3-thiazol-4-yl]methyl]aniline
SMILESCNCc1nc(CN(C)c2ccc(C)cc2)cs1
InChIInChI=1S/C14H19N3S/c1-11-4-6-13(7-5-11)17(3)9-12-10-18-14(16-12)8-15-2/h4-7,10,15H,8-9H2,1-3H3
InChIKeyVBMMLVILYAJMGW-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_E(186)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,4-dimethyl-N-[[2-(methylaminomethyl)-1,3-thiazol-4-yl]methyl]aniline?
The IUPAC name of N,4-dimethyl-N-[[2-(methylaminomethyl)-1,3-thiazol-4-yl]methyl]aniline (CID 62429443) is N,4-dimethyl-N-[[2-(methylaminomethyl)-1,3-thiazol-4-yl]methyl]aniline.
What is the SMILES notation for N,4-dimethyl-N-[[2-(methylaminomethyl)-1,3-thiazol-4-yl]methyl]aniline?
The canonical SMILES for N,4-dimethyl-N-[[2-(methylaminomethyl)-1,3-thiazol-4-yl]methyl]aniline is CNCc1nc(CN(C)c2ccc(C)cc2)cs1.
What is the InChIKey of N,4-dimethyl-N-[[2-(methylaminomethyl)-1,3-thiazol-4-yl]methyl]aniline?
The InChIKey is VBMMLVILYAJMGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3S/c1-11-4-6-13(7-5-11)17(3)9-12-10-18-14(16-12)8-15-2/h4-7,10,15H,8-9H2,1-3H3.
What are the key properties of N,4-dimethyl-N-[[2-(methylaminomethyl)-1,3-thiazol-4-yl]methyl]aniline?
N,4-dimethyl-N-[[2-(methylaminomethyl)-1,3-thiazol-4-yl]methyl]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,4-dimethyl-N-[[2-(methylaminomethyl)-1,3-thiazol-4-yl]methyl]aniline is sourced from PubChem (CID 62429443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).