2-methyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]-1-thiophen-2-ylpropan-1-amine

C13H19N3S — CID 62749583

IUPAC2-methyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]-1-thiophen-2-ylpropan-1-amine
SMILESCc1[nH]cnc1CNC(c1cccs1)C(C)C
InChIInChI=1S/C13H19N3S/c1-9(2)13(12-5-4-6-17-12)14-7-11-10(3)15-8-16-11/h4-6,8-9,13-14H,7H2,1-3H3,(H,15,16)
InChIKeyZZPDVHOEIJDITK-UHFFFAOYSA-N
MW249.38 g/mol
LogP3.27
Rot. Bonds5

About 2-methyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]-1-thiophen-2-ylpropan-1-amine

2-methyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]-1-thiophen-2-ylpropan-1-amine (PubChem CID 62749583) has the molecular formula C13H19N3S and a molecular weight of 249.38 g/mol. Its IUPAC name is 2-methyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]-1-thiophen-2-ylpropan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]-1-thiophen-2-ylpropan-1-amine
PubChem CID62749583
Molecular FormulaC13H19N3S
Molecular Weight249.38 g/mol
Exact Mass249.13
IUPAC Name2-methyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]-1-thiophen-2-ylpropan-1-amine
SMILESCc1[nH]cnc1CNC(c1cccs1)C(C)C
InChIInChI=1S/C13H19N3S/c1-9(2)13(12-5-4-6-17-12)14-7-11-10(3)15-8-16-11/h4-6,8-9,13-14H,7H2,1-3H3,(H,15,16)
InChIKeyZZPDVHOEIJDITK-UHFFFAOYSA-N
XLogP3.27
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.38
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-methyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]-1-thiophen-2-ylpropan-1-amine 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

2-methyl-N-(1,3-thiazol-2-ylmethyl)-1-thiophen-2-ylpropan-1-amine
CID 61284440
2-methyl-N-[(2-methyltetrazol-5-yl)methyl]-1-thiophen-2-ylpropan-1-amine
CID 107042287
2-methyl-N-(1,2-oxazol-3-ylmethyl)-1-thiophen-2-ylpropan-1-amine
CID 79002812
4-[[(2-methyl-1-thiophen-2-ylpropyl)amino]methyl]phenol
CID 43225843
2-methyl-N-(quinoxalin-2-ylmethyl)-1-thiophen-2-ylpropan-1-amine
CID 43786598
N-(furan-3-ylmethyl)-2-methyl-1-thiophen-2-ylpropan-1-amine
CID 63000081
N-(1H-indol-4-ylmethyl)-2-methyl-1-thiophen-2-ylpropan-1-amine
CID 62999754
2,2-dimethyl-N-(2-methyl-1-thiophen-2-ylpropyl)propan-1-amine
CID 61166031
3-methyl-N-(2-methyl-1-thiophen-2-ylpropyl)butan-1-amine
CID 43225862
N-(2-methyl-1-thiophen-2-ylpropyl)hydroxylamine
CID 82685515
2-methyl-1-thiophen-2-yl-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]propan-1-amine
CID 43233315
N-[(2-chloro-4-methylphenyl)methyl]-2-methyl-1-thiophen-2-ylpropan-1-amine
CID 106862511

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]-1-thiophen-2-ylpropan-1-amine?
The IUPAC name of 2-methyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]-1-thiophen-2-ylpropan-1-amine (CID 62749583) is 2-methyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]-1-thiophen-2-ylpropan-1-amine.
What is the SMILES notation for 2-methyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]-1-thiophen-2-ylpropan-1-amine?
The canonical SMILES for 2-methyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]-1-thiophen-2-ylpropan-1-amine is Cc1[nH]cnc1CNC(c1cccs1)C(C)C.
What is the InChIKey of 2-methyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]-1-thiophen-2-ylpropan-1-amine?
The InChIKey is ZZPDVHOEIJDITK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3S/c1-9(2)13(12-5-4-6-17-12)14-7-11-10(3)15-8-16-11/h4-6,8-9,13-14H,7H2,1-3H3,(H,15,16).
What are the key properties of 2-methyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]-1-thiophen-2-ylpropan-1-amine?
2-methyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]-1-thiophen-2-ylpropan-1-amine has a molecular weight of 249.38 g/mol, XLogP of 3.27, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]-1-thiophen-2-ylpropan-1-amine is sourced from PubChem (CID 62749583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).