N-[(3-methylimidazol-4-yl)-(5-methylthiophen-3-yl)methyl]ethanamine

C12H17N3S — CID 82901871

IUPACN-[(3-methylimidazol-4-yl)-(5-methylthiophen-3-yl)methyl]ethanamine
SMILESCCNC(c1csc(C)c1)c1cncn1C
InChIInChI=1S/C12H17N3S/c1-4-14-12(10-5-9(2)16-7-10)11-6-13-8-15(11)3/h5-8,12,14H,4H2,1-3H3
InChIKeyXGZARTRNPMESFM-UHFFFAOYSA-N
MW235.36 g/mol
LogP2.49
Rot. Bonds4

About N-[(3-methylimidazol-4-yl)-(5-methylthiophen-3-yl)methyl]ethanamine

N-[(3-methylimidazol-4-yl)-(5-methylthiophen-3-yl)methyl]ethanamine (PubChem CID 82901871) has the molecular formula C12H17N3S and a molecular weight of 235.36 g/mol. Its IUPAC name is N-[(3-methylimidazol-4-yl)-(5-methylthiophen-3-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(3-methylimidazol-4-yl)-(5-methylthiophen-3-yl)methyl]ethanamine
PubChem CID82901871
Molecular FormulaC12H17N3S
Molecular Weight235.36 g/mol
Exact Mass235.11
IUPAC NameN-[(3-methylimidazol-4-yl)-(5-methylthiophen-3-yl)methyl]ethanamine
SMILESCCNC(c1csc(C)c1)c1cncn1C
InChIInChI=1S/C12H17N3S/c1-4-14-12(10-5-9(2)16-7-10)11-6-13-8-15(11)3/h5-8,12,14H,4H2,1-3H3
InChIKeyXGZARTRNPMESFM-UHFFFAOYSA-N
XLogP2.49
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.36
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(3-methylimidazol-4-yl)-(5-methylthiophen-3-yl)methyl]ethanamine 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-methylimidazol-4-yl)-(5-methylthiophen-3-yl)methanol
CID 66116920
N-[(3-methylimidazol-4-yl)-(5-methylthiophen-2-yl)methyl]ethanamine
CID 82902463
N-[(3-chloro-4-methylphenyl)-(3-methylimidazol-4-yl)methyl]ethanamine
CID 107560646
N-[(3-methylimidazol-4-yl)-(1-propylpyrazol-4-yl)methyl]ethanamine
CID 82903321
N-[(3-methylimidazol-4-yl)-(4-propan-2-yl-1,3-thiazol-2-yl)methyl]ethanamine
CID 66118401
N-[furan-3-yl-(5-methylthiophen-3-yl)methyl]ethanamine
CID 65104639
N-[(4-ethylphenyl)-(5-methylthiophen-3-yl)methyl]ethanamine
CID 65104551
N-[(5-methylthiophen-3-yl)-thiophen-2-ylmethyl]ethanamine
CID 65104955
N-[(3-methylimidazol-4-yl)-thiophen-3-ylmethyl]propan-1-amine
CID 82902048
N-[(3-methylimidazol-4-yl)-(6-methyl-3-pyridinyl)methyl]propan-1-amine
CID 82902794
N-[(5-methylfuran-2-yl)-(5-methylthiophen-3-yl)methyl]ethanamine
CID 104991414
N-[(5-bromo-3-methyltriazol-4-yl)-(3-methylimidazol-4-yl)methyl]ethanamine
CID 106462910

Frequently Asked Questions

What is the IUPAC name of N-[(3-methylimidazol-4-yl)-(5-methylthiophen-3-yl)methyl]ethanamine?
The IUPAC name of N-[(3-methylimidazol-4-yl)-(5-methylthiophen-3-yl)methyl]ethanamine (CID 82901871) is N-[(3-methylimidazol-4-yl)-(5-methylthiophen-3-yl)methyl]ethanamine.
What is the SMILES notation for N-[(3-methylimidazol-4-yl)-(5-methylthiophen-3-yl)methyl]ethanamine?
The canonical SMILES for N-[(3-methylimidazol-4-yl)-(5-methylthiophen-3-yl)methyl]ethanamine is CCNC(c1csc(C)c1)c1cncn1C.
What is the InChIKey of N-[(3-methylimidazol-4-yl)-(5-methylthiophen-3-yl)methyl]ethanamine?
The InChIKey is XGZARTRNPMESFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3S/c1-4-14-12(10-5-9(2)16-7-10)11-6-13-8-15(11)3/h5-8,12,14H,4H2,1-3H3.
What are the key properties of N-[(3-methylimidazol-4-yl)-(5-methylthiophen-3-yl)methyl]ethanamine?
N-[(3-methylimidazol-4-yl)-(5-methylthiophen-3-yl)methyl]ethanamine has a molecular weight of 235.36 g/mol, XLogP of 2.49, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methylimidazol-4-yl)-(5-methylthiophen-3-yl)methyl]ethanamine is sourced from PubChem (CID 82901871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).