N,3,5-trimethyl-N-[[2-(propylaminomethyl)-1,3-thiazol-4-yl]methyl]aniline

C17H25N3S — CID 62462335

IUPACN,3,5-trimethyl-N-[[2-(propylaminomethyl)-1,3-thiazol-4-yl]methyl]aniline
SMILESCCCNCc1nc(CN(C)c2cc(C)cc(C)c2)cs1
InChIInChI=1S/C17H25N3S/c1-5-6-18-10-17-19-15(12-21-17)11-20(4)16-8-13(2)7-14(3)9-16/h7-9,12,18H,5-6,10-11H2,1-4H3
InChIKeyKBFWVUFUFBQERK-UHFFFAOYSA-N
MW303.48 g/mol
LogP3.90
Rot. Bonds7

About N,3,5-trimethyl-N-[[2-(propylaminomethyl)-1,3-thiazol-4-yl]methyl]aniline

N,3,5-trimethyl-N-[[2-(propylaminomethyl)-1,3-thiazol-4-yl]methyl]aniline (PubChem CID 62462335) has the molecular formula C17H25N3S and a molecular weight of 303.48 g/mol. Its IUPAC name is N,3,5-trimethyl-N-[[2-(propylaminomethyl)-1,3-thiazol-4-yl]methyl]aniline.

Molecular Properties

Compound NameN,3,5-trimethyl-N-[[2-(propylaminomethyl)-1,3-thiazol-4-yl]methyl]aniline
PubChem CID62462335
Molecular FormulaC17H25N3S
Molecular Weight303.48 g/mol
Exact Mass303.18
IUPAC NameN,3,5-trimethyl-N-[[2-(propylaminomethyl)-1,3-thiazol-4-yl]methyl]aniline
SMILESCCCNCc1nc(CN(C)c2cc(C)cc(C)c2)cs1
InChIInChI=1S/C17H25N3S/c1-5-6-18-10-17-19-15(12-21-17)11-20(4)16-8-13(2)7-14(3)9-16/h7-9,12,18H,5-6,10-11H2,1-4H3
InChIKeyKBFWVUFUFBQERK-UHFFFAOYSA-N
XLogP3.90
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.48
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N,3,5-trimethyl-N-[[2-(propylaminomethyl)-1,3-thiazol-4-yl]methyl]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-[(3,5-dimethylphenoxy)methyl]-1,3-thiazol-2-yl]methyl]propan-1-amine
CID 62453410
N-methyl-N-[[2-(propylaminomethyl)-1,3-thiazol-4-yl]methyl]pentan-1-amine
CID 62422802
N-methyl-N-[[2-(propylaminomethyl)-1,3-thiazol-4-yl]methyl]cyclopropanamine
CID 62418324
N,4-dimethyl-N-[[2-(methylaminomethyl)-1,3-thiazol-4-yl]methyl]aniline
CID 62429443
N-methyl-N-[[2-(propylaminomethyl)-1,3-thiazol-4-yl]methyl]oxan-4-amine
CID 62434020
N-[[4-[[methyl(2-propan-2-yloxyethyl)amino]methyl]-1,3-thiazol-2-yl]methyl]propan-1-amine
CID 81067851
N-[[4-[[cyclohexylmethyl(methyl)amino]methyl]-1,3-thiazol-2-yl]methyl]propan-1-amine
CID 62411836
N-methyl-N-[[2-[(2-methylpropylamino)methyl]-1,3-thiazol-4-yl]methyl]aniline
CID 62439248
N-[[4-[[methyl(oxan-4-ylmethyl)amino]methyl]-1,3-thiazol-2-yl]methyl]propan-1-amine
CID 63705658
N-[[4-[[ethyl(pyridin-4-ylmethyl)amino]methyl]-1,3-thiazol-2-yl]methyl]propan-1-amine
CID 62430771
N-(2-methylpropyl)-N-[[2-(propylaminomethyl)-1,3-thiazol-4-yl]methyl]cyclopropanamine
CID 55073796
N-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]methyl]propan-1-amine
CID 62542694

Frequently Asked Questions

What is the IUPAC name of N,3,5-trimethyl-N-[[2-(propylaminomethyl)-1,3-thiazol-4-yl]methyl]aniline?
The IUPAC name of N,3,5-trimethyl-N-[[2-(propylaminomethyl)-1,3-thiazol-4-yl]methyl]aniline (CID 62462335) is N,3,5-trimethyl-N-[[2-(propylaminomethyl)-1,3-thiazol-4-yl]methyl]aniline.
What is the SMILES notation for N,3,5-trimethyl-N-[[2-(propylaminomethyl)-1,3-thiazol-4-yl]methyl]aniline?
The canonical SMILES for N,3,5-trimethyl-N-[[2-(propylaminomethyl)-1,3-thiazol-4-yl]methyl]aniline is CCCNCc1nc(CN(C)c2cc(C)cc(C)c2)cs1.
What is the InChIKey of N,3,5-trimethyl-N-[[2-(propylaminomethyl)-1,3-thiazol-4-yl]methyl]aniline?
The InChIKey is KBFWVUFUFBQERK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3S/c1-5-6-18-10-17-19-15(12-21-17)11-20(4)16-8-13(2)7-14(3)9-16/h7-9,12,18H,5-6,10-11H2,1-4H3.
What are the key properties of N,3,5-trimethyl-N-[[2-(propylaminomethyl)-1,3-thiazol-4-yl]methyl]aniline?
N,3,5-trimethyl-N-[[2-(propylaminomethyl)-1,3-thiazol-4-yl]methyl]aniline has a molecular weight of 303.48 g/mol, XLogP of 3.90, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,3,5-trimethyl-N-[[2-(propylaminomethyl)-1,3-thiazol-4-yl]methyl]aniline is sourced from PubChem (CID 62462335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).