N-(1,3-thiazol-5-ylmethyl)-2-thiophen-2-ylethanamine

C10H12N2S2 — CID 62759033

IUPACN-(1,3-thiazol-5-ylmethyl)-2-thiophen-2-ylethanamine
SMILESc1csc(CCNCc2cncs2)c1
InChIInChI=1S/C10H12N2S2/c1-2-9(13-5-1)3-4-11-6-10-7-12-8-14-10/h1-2,5,7-8,11H,3-4,6H2
InChIKeyWIXMLOCOUOIANA-UHFFFAOYSA-N
MW224.35 g/mol
LogP2.54
Rot. Bonds5

About N-(1,3-thiazol-5-ylmethyl)-2-thiophen-2-ylethanamine

N-(1,3-thiazol-5-ylmethyl)-2-thiophen-2-ylethanamine (PubChem CID 62759033) has the molecular formula C10H12N2S2 and a molecular weight of 224.35 g/mol. Its IUPAC name is N-(1,3-thiazol-5-ylmethyl)-2-thiophen-2-ylethanamine.

Molecular Properties

Compound NameN-(1,3-thiazol-5-ylmethyl)-2-thiophen-2-ylethanamine
PubChem CID62759033
Molecular FormulaC10H12N2S2
Molecular Weight224.35 g/mol
Exact Mass224.04
IUPAC NameN-(1,3-thiazol-5-ylmethyl)-2-thiophen-2-ylethanamine
SMILESc1csc(CCNCc2cncs2)c1
InChIInChI=1S/C10H12N2S2/c1-2-9(13-5-1)3-4-11-6-10-7-12-8-14-10/h1-2,5,7-8,11H,3-4,6H2
InChIKeyWIXMLOCOUOIANA-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'}

Analyze N-(1,3-thiazol-5-ylmethyl)-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-(3-methylthiophen-2-yl)-N-(1,3-thiazol-5-ylmethyl)ethanamine
CID 115897921
N-[(3-propan-2-ylimidazol-4-yl)methyl]-2-thiophen-2-ylethanamine
CID 66131471
N-[(4-methyl-1,3-thiazol-2-yl)methyl]-2-thiophen-2-ylethanamine
CID 63775483
N-[(2,6-dichlorophenyl)methyl]-2-thiophen-2-ylethanamine
CID 15887858
N-(bromomethyl)-2-thiophen-2-ylethanamine
CID 115262160
N-[(4,5-dimethylthiophen-2-yl)methyl]-2-thiophen-2-ylethanamine
CID 65244071
2-(1,3-thiazol-4-yl)-N-(thiophen-2-ylmethyl)ethanamine
CID 63829370
N-methyl-N'-(2-thiophen-2-ylethyl)methanediamine
CID 115227113
N-[(3,5-difluorophenyl)methyl]-2-thiophen-2-ylethanamine
CID 115767520
3-pyridin-4-yl-N-(thiophen-2-ylmethyl)propan-1-amine
CID 114289826
4-[(2-thiophen-2-ylethylamino)methyl]pyrimidine-5-carboxylic acid
CID 103235532
N'-(1,3-thiazol-5-ylmethyl)propane-1,3-diamine
CID 62759074

Frequently Asked Questions

What is the IUPAC name of N-(1,3-thiazol-5-ylmethyl)-2-thiophen-2-ylethanamine?
The IUPAC name of N-(1,3-thiazol-5-ylmethyl)-2-thiophen-2-ylethanamine (CID 62759033) is N-(1,3-thiazol-5-ylmethyl)-2-thiophen-2-ylethanamine.
What is the SMILES notation for N-(1,3-thiazol-5-ylmethyl)-2-thiophen-2-ylethanamine?
The canonical SMILES for N-(1,3-thiazol-5-ylmethyl)-2-thiophen-2-ylethanamine is c1csc(CCNCc2cncs2)c1.
What is the InChIKey of N-(1,3-thiazol-5-ylmethyl)-2-thiophen-2-ylethanamine?
The InChIKey is WIXMLOCOUOIANA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2S2/c1-2-9(13-5-1)3-4-11-6-10-7-12-8-14-10/h1-2,5,7-8,11H,3-4,6H2.
What are the key properties of N-(1,3-thiazol-5-ylmethyl)-2-thiophen-2-ylethanamine?
N-(1,3-thiazol-5-ylmethyl)-2-thiophen-2-ylethanamine 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 N-(1,3-thiazol-5-ylmethyl)-2-thiophen-2-ylethanamine is sourced from PubChem (CID 62759033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).