2-(3-methylthiophen-2-yl)-N-(1,3-thiazol-5-ylmethyl)ethanamine

C11H14N2S2 — CID 115897921

IUPAC2-(3-methylthiophen-2-yl)-N-(1,3-thiazol-5-ylmethyl)ethanamine
SMILESCc1ccsc1CCNCc1cncs1
InChIInChI=1S/C11H14N2S2/c1-9-3-5-14-11(9)2-4-12-6-10-7-13-8-15-10/h3,5,7-8,12H,2,4,6H2,1H3
InChIKeyUBQSGSBPWZZODM-UHFFFAOYSA-N
MW238.38 g/mol
LogP2.85
Rot. Bonds5

About 2-(3-methylthiophen-2-yl)-N-(1,3-thiazol-5-ylmethyl)ethanamine

2-(3-methylthiophen-2-yl)-N-(1,3-thiazol-5-ylmethyl)ethanamine (PubChem CID 115897921) has the molecular formula C11H14N2S2 and a molecular weight of 238.38 g/mol. Its IUPAC name is 2-(3-methylthiophen-2-yl)-N-(1,3-thiazol-5-ylmethyl)ethanamine.

Molecular Properties

Compound Name2-(3-methylthiophen-2-yl)-N-(1,3-thiazol-5-ylmethyl)ethanamine
PubChem CID115897921
Molecular FormulaC11H14N2S2
Molecular Weight238.38 g/mol
Exact Mass238.06
IUPAC Name2-(3-methylthiophen-2-yl)-N-(1,3-thiazol-5-ylmethyl)ethanamine
SMILESCc1ccsc1CCNCc1cncs1
InChIInChI=1S/C11H14N2S2/c1-9-3-5-14-11(9)2-4-12-6-10-7-13-8-15-10/h3,5,7-8,12H,2,4,6H2,1H3
InChIKeyUBQSGSBPWZZODM-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'}

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Related Compounds

N-(1,3-thiazol-5-ylmethyl)-2-thiophen-2-ylethanamine
CID 62759033
2,2,2-trifluoro-N-[2-(3-methylthiophen-2-yl)ethyl]ethanamine
CID 115258076
N-[(1-methylpyrrol-2-yl)methyl]-2-(3-methylthiophen-2-yl)ethanamine
CID 115897948
2-[2-(3-methylthiophen-2-yl)ethylamino]ethanol
CID 115216347
N-(1H-imidazol-2-ylmethyl)-2-(3-methylthiophen-2-yl)ethanamine
CID 115897926
N-[(3-methylthiophen-2-yl)methyl]-2-(1,2,4-oxadiazol-5-yl)ethanamine
CID 103744500
2-[2-(3-methylthiophen-2-yl)ethylamino]acetonitrile
CID 115131313
3-[2-(3-methylthiophen-2-yl)ethylamino]propane-1-thiol
CID 115225201
N',N'-dimethyl-N-(1,3-thiazol-5-ylmethyl)ethane-1,2-diamine
CID 62758290
N-(1,3-thiazol-5-ylmethyl)heptan-1-amine
CID 115732008
N'-(1,3-thiazol-5-ylmethyl)propane-1,3-diamine
CID 62759074
3-bromo-N-(1,3-thiazol-5-ylmethyl)propan-1-amine
CID 112644435

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylthiophen-2-yl)-N-(1,3-thiazol-5-ylmethyl)ethanamine?
The IUPAC name of 2-(3-methylthiophen-2-yl)-N-(1,3-thiazol-5-ylmethyl)ethanamine (CID 115897921) is 2-(3-methylthiophen-2-yl)-N-(1,3-thiazol-5-ylmethyl)ethanamine.
What is the SMILES notation for 2-(3-methylthiophen-2-yl)-N-(1,3-thiazol-5-ylmethyl)ethanamine?
The canonical SMILES for 2-(3-methylthiophen-2-yl)-N-(1,3-thiazol-5-ylmethyl)ethanamine is Cc1ccsc1CCNCc1cncs1.
What is the InChIKey of 2-(3-methylthiophen-2-yl)-N-(1,3-thiazol-5-ylmethyl)ethanamine?
The InChIKey is UBQSGSBPWZZODM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2S2/c1-9-3-5-14-11(9)2-4-12-6-10-7-13-8-15-10/h3,5,7-8,12H,2,4,6H2,1H3.
What are the key properties of 2-(3-methylthiophen-2-yl)-N-(1,3-thiazol-5-ylmethyl)ethanamine?
2-(3-methylthiophen-2-yl)-N-(1,3-thiazol-5-ylmethyl)ethanamine 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 2-(3-methylthiophen-2-yl)-N-(1,3-thiazol-5-ylmethyl)ethanamine is sourced from PubChem (CID 115897921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).