2-(1,3-thiazol-4-yl)-N-(thiophen-2-ylmethyl)ethanamine

C10H12N2S2 — CID 63829370

IUPAC2-(1,3-thiazol-4-yl)-N-(thiophen-2-ylmethyl)ethanamine
SMILESc1csc(CNCCc2cscn2)c1
InChIInChI=1S/C10H12N2S2/c1-2-10(14-5-1)6-11-4-3-9-7-13-8-12-9/h1-2,5,7-8,11H,3-4,6H2
InChIKeyNTDKUWBKDBYRLA-UHFFFAOYSA-N
MW224.35 g/mol
LogP2.54
Rot. Bonds5

About 2-(1,3-thiazol-4-yl)-N-(thiophen-2-ylmethyl)ethanamine

2-(1,3-thiazol-4-yl)-N-(thiophen-2-ylmethyl)ethanamine (PubChem CID 63829370) has the molecular formula C10H12N2S2 and a molecular weight of 224.35 g/mol. Its IUPAC name is 2-(1,3-thiazol-4-yl)-N-(thiophen-2-ylmethyl)ethanamine.

Molecular Properties

Compound Name2-(1,3-thiazol-4-yl)-N-(thiophen-2-ylmethyl)ethanamine
PubChem CID63829370
Molecular FormulaC10H12N2S2
Molecular Weight224.35 g/mol
Exact Mass224.04
IUPAC Name2-(1,3-thiazol-4-yl)-N-(thiophen-2-ylmethyl)ethanamine
SMILESc1csc(CNCCc2cscn2)c1
InChIInChI=1S/C10H12N2S2/c1-2-10(14-5-1)6-11-4-3-9-7-13-8-12-9/h1-2,5,7-8,11H,3-4,6H2
InChIKeyNTDKUWBKDBYRLA-UHFFFAOYSA-N
XLogP2.54
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(1,3-thiazol-4-ylmethyl)-3-thiophen-2-ylpropan-1-amine
CID 115883663
N-(pyridin-2-ylmethyl)-2-(1,3-thiazol-4-yl)ethanamine
CID 63829197
N-[2-(1,3-thiazol-4-yl)ethyl]-1-thiophen-2-ylethanamine
CID 63831315
3-(1,3-thiazol-4-yl)-N-(2-thiophen-2-ylethyl)propanamide
CID 47080825
6-[[2-(1,3-thiazol-4-yl)ethylamino]methyl]pyridin-3-ol
CID 79794984
N-[(5-chlorofuran-2-yl)methyl]-2-(1,3-thiazol-4-yl)ethanamine
CID 63831322
N-(1,3-thiazol-5-ylmethyl)-2-thiophen-2-ylethanamine
CID 62759033
5-[[2-(1,3-thiazol-4-yl)ethylamino]methyl]thiophene-3-carboxamide
CID 79613625
N-[(2,3-dimethylphenyl)methyl]-2-(1,3-thiazol-4-yl)ethanamine
CID 63830404
N-[(4-bromo-5-chlorothiophen-2-yl)methyl]-2-(1,3-thiazol-4-yl)ethanamine
CID 102835791
2-bromo-6-[[2-(1,3-thiazol-4-yl)ethylamino]methyl]phenol
CID 63829529
3-[[2-(1,3-thiazol-4-yl)ethylamino]methyl]naphthalen-2-amine
CID 63824853

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-thiazol-4-yl)-N-(thiophen-2-ylmethyl)ethanamine?
The IUPAC name of 2-(1,3-thiazol-4-yl)-N-(thiophen-2-ylmethyl)ethanamine (CID 63829370) is 2-(1,3-thiazol-4-yl)-N-(thiophen-2-ylmethyl)ethanamine.
What is the SMILES notation for 2-(1,3-thiazol-4-yl)-N-(thiophen-2-ylmethyl)ethanamine?
The canonical SMILES for 2-(1,3-thiazol-4-yl)-N-(thiophen-2-ylmethyl)ethanamine is c1csc(CNCCc2cscn2)c1.
What is the InChIKey of 2-(1,3-thiazol-4-yl)-N-(thiophen-2-ylmethyl)ethanamine?
The InChIKey is NTDKUWBKDBYRLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2S2/c1-2-10(14-5-1)6-11-4-3-9-7-13-8-12-9/h1-2,5,7-8,11H,3-4,6H2.
What are the key properties of 2-(1,3-thiazol-4-yl)-N-(thiophen-2-ylmethyl)ethanamine?
2-(1,3-thiazol-4-yl)-N-(thiophen-2-ylmethyl)ethanamine has a molecular weight of 224.35 g/mol, XLogP of 2.54, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-thiazol-4-yl)-N-(thiophen-2-ylmethyl)ethanamine is sourced from PubChem (CID 63829370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).