N-[(4-methyl-1,3-thiazol-2-yl)methyl]-2-thiophen-2-ylethanamine

C11H14N2S2 — CID 63775483

IUPACN-[(4-methyl-1,3-thiazol-2-yl)methyl]-2-thiophen-2-ylethanamine
SMILESCc1csc(CNCCc2cccs2)n1
InChIInChI=1S/C11H14N2S2/c1-9-8-15-11(13-9)7-12-5-4-10-3-2-6-14-10/h2-3,6,8,12H,4-5,7H2,1H3
InChIKeyQBSISRCNSNAOER-UHFFFAOYSA-N
MW238.38 g/mol
LogP2.85
Rot. Bonds5

About N-[(4-methyl-1,3-thiazol-2-yl)methyl]-2-thiophen-2-ylethanamine

N-[(4-methyl-1,3-thiazol-2-yl)methyl]-2-thiophen-2-ylethanamine (PubChem CID 63775483) has the molecular formula C11H14N2S2 and a molecular weight of 238.38 g/mol. Its IUPAC name is N-[(4-methyl-1,3-thiazol-2-yl)methyl]-2-thiophen-2-ylethanamine.

Molecular Properties

Compound NameN-[(4-methyl-1,3-thiazol-2-yl)methyl]-2-thiophen-2-ylethanamine
PubChem CID63775483
Molecular FormulaC11H14N2S2
Molecular Weight238.38 g/mol
Exact Mass238.06
IUPAC NameN-[(4-methyl-1,3-thiazol-2-yl)methyl]-2-thiophen-2-ylethanamine
SMILESCc1csc(CNCCc2cccs2)n1
InChIInChI=1S/C11H14N2S2/c1-9-8-15-11(13-9)7-12-5-4-10-3-2-6-14-10/h2-3,6,8,12H,4-5,7H2,1H3
InChIKeyQBSISRCNSNAOER-UHFFFAOYSA-N
XLogP2.85
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.38
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[(4-methyl-1,3-thiazol-2-yl)methyl]-2-thiophen-2-ylethanamine 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-(5-chlorothiophen-2-yl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]ethanamine
CID 115633678
2-(4-chlorophenyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]ethanamine
CID 78992597
2-(2-methylpyrazol-3-yl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]ethanamine
CID 104694332
2-fluoro-N-[(4-methyl-1,3-thiazol-2-yl)methyl]ethanamine
CID 80695663
N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2-dithiophen-2-ylethanamine
CID 61044447
N-(1,3-thiazol-5-ylmethyl)-2-thiophen-2-ylethanamine
CID 62759033
2-[[2-(4-methyl-1,3-thiazol-2-yl)ethylamino]methyl]phenol
CID 62735021
2-[4-(4-methyl-1,3-thiazol-2-yl)butyl]-1-(2-thiophen-2-ylethyl)guanidine;hydroiodide
CID 111098800
N-[(4-methylphenyl)methyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanamine
CID 55027046
N-[(4-methyl-1,3-thiazol-2-yl)methyl]hexan-1-amine
CID 61042868
4-bromo-N-[(4-methyl-1,3-thiazol-2-yl)methyl]butan-1-amine
CID 106844765
N-methyl-N'-(2-thiophen-2-ylethyl)methanediamine
CID 115227113

Frequently Asked Questions

What is the IUPAC name of N-[(4-methyl-1,3-thiazol-2-yl)methyl]-2-thiophen-2-ylethanamine?
The IUPAC name of N-[(4-methyl-1,3-thiazol-2-yl)methyl]-2-thiophen-2-ylethanamine (CID 63775483) is N-[(4-methyl-1,3-thiazol-2-yl)methyl]-2-thiophen-2-ylethanamine.
What is the SMILES notation for N-[(4-methyl-1,3-thiazol-2-yl)methyl]-2-thiophen-2-ylethanamine?
The canonical SMILES for N-[(4-methyl-1,3-thiazol-2-yl)methyl]-2-thiophen-2-ylethanamine is Cc1csc(CNCCc2cccs2)n1.
What is the InChIKey of N-[(4-methyl-1,3-thiazol-2-yl)methyl]-2-thiophen-2-ylethanamine?
The InChIKey is QBSISRCNSNAOER-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2S2/c1-9-8-15-11(13-9)7-12-5-4-10-3-2-6-14-10/h2-3,6,8,12H,4-5,7H2,1H3.
What are the key properties of N-[(4-methyl-1,3-thiazol-2-yl)methyl]-2-thiophen-2-ylethanamine?
N-[(4-methyl-1,3-thiazol-2-yl)methyl]-2-thiophen-2-ylethanamine has a molecular weight of 238.38 g/mol, XLogP of 2.85, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methyl-1,3-thiazol-2-yl)methyl]-2-thiophen-2-ylethanamine is sourced from PubChem (CID 63775483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).