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

C12H16N2S2 — CID 103777232

IUPACN-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-1-thiophen-3-ylethanamine
SMILESCc1nc(CCNC(C)c2ccsc2)cs1
InChIInChI=1S/C12H16N2S2/c1-9(11-4-6-15-7-11)13-5-3-12-8-16-10(2)14-12/h4,6-9,13H,3,5H2,1-2H3
InChIKeyLESPHWHLFNVSKX-UHFFFAOYSA-N
MW252.41 g/mol
LogP3.41
Rot. Bonds5

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

N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-1-thiophen-3-ylethanamine (PubChem CID 103777232) has the molecular formula C12H16N2S2 and a molecular weight of 252.41 g/mol. Its IUPAC name is N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-1-thiophen-3-ylethanamine.

Molecular Properties

Compound NameN-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-1-thiophen-3-ylethanamine
PubChem CID103777232
Molecular FormulaC12H16N2S2
Molecular Weight252.41 g/mol
Exact Mass252.08
IUPAC NameN-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-1-thiophen-3-ylethanamine
SMILESCc1nc(CCNC(C)c2ccsc2)cs1
InChIInChI=1S/C12H16N2S2/c1-9(11-4-6-15-7-11)13-5-3-12-8-16-10(2)14-12/h4,6-9,13H,3,5H2,1-2H3
InChIKeyLESPHWHLFNVSKX-UHFFFAOYSA-N
XLogP3.41
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.41
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-iodophenyl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]ethanamine
CID 103777228
1-(furan-3-yl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]ethanamine
CID 103777253
1-(3-bromophenyl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]ethanamine
CID 113246949
N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-1-(2,3,4-trichlorophenyl)ethanamine
CID 106038911
N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-1-(4-propoxyphenyl)ethanamine
CID 103777249
2-methyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-1-thiophen-2-ylpropan-1-amine
CID 103880851
N-[2-(2-methyl-1,3-thiazol-5-yl)ethyl]-1-thiophen-3-ylethanamine
CID 115895032
1-(1,3-benzodioxol-5-yl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]ethanamine
CID 103777111
N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-1-(2,4,5-trimethylphenyl)ethanamine
CID 103777248
N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-1-(1H-pyrazol-5-yl)ethanamine
CID 106038951
2-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]propanenitrile
CID 106045354
N-(2-pyridin-4-ylethyl)-1-thiophen-3-ylethanamine
CID 62089117

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-1-thiophen-3-ylethanamine?
The IUPAC name of N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-1-thiophen-3-ylethanamine (CID 103777232) is N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-1-thiophen-3-ylethanamine.
What is the SMILES notation for N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-1-thiophen-3-ylethanamine?
The canonical SMILES for N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-1-thiophen-3-ylethanamine is Cc1nc(CCNC(C)c2ccsc2)cs1.
What is the InChIKey of N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-1-thiophen-3-ylethanamine?
The InChIKey is LESPHWHLFNVSKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2S2/c1-9(11-4-6-15-7-11)13-5-3-12-8-16-10(2)14-12/h4,6-9,13H,3,5H2,1-2H3.
What are the key properties of N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-1-thiophen-3-ylethanamine?
N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-1-thiophen-3-ylethanamine has a molecular weight of 252.41 g/mol, XLogP of 3.41, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-1-thiophen-3-ylethanamine is sourced from PubChem (CID 103777232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).