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

C12H16N2S2 — CID 115621932

IUPAC1-(2-ethyl-1,3-thiazol-4-yl)-N-(thiophen-2-ylmethyl)ethanamine
SMILESCCc1nc(C(C)NCc2cccs2)cs1
InChIInChI=1S/C12H16N2S2/c1-3-12-14-11(8-16-12)9(2)13-7-10-5-4-6-15-10/h4-6,8-9,13H,3,7H2,1-2H3
InChIKeyHPPHZEXGPBFRIW-UHFFFAOYSA-N
MW252.41 g/mol
LogP3.62
Rot. Bonds5

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

1-(2-ethyl-1,3-thiazol-4-yl)-N-(thiophen-2-ylmethyl)ethanamine (PubChem CID 115621932) has the molecular formula C12H16N2S2 and a molecular weight of 252.41 g/mol. Its IUPAC name is 1-(2-ethyl-1,3-thiazol-4-yl)-N-(thiophen-2-ylmethyl)ethanamine.

Molecular Properties

Compound Name1-(2-ethyl-1,3-thiazol-4-yl)-N-(thiophen-2-ylmethyl)ethanamine
PubChem CID115621932
Molecular FormulaC12H16N2S2
Molecular Weight252.41 g/mol
Exact Mass252.08
IUPAC Name1-(2-ethyl-1,3-thiazol-4-yl)-N-(thiophen-2-ylmethyl)ethanamine
SMILESCCc1nc(C(C)NCc2cccs2)cs1
InChIInChI=1S/C12H16N2S2/c1-3-12-14-11(8-16-12)9(2)13-7-10-5-4-6-15-10/h4-6,8-9,13H,3,7H2,1-2H3
InChIKeyHPPHZEXGPBFRIW-UHFFFAOYSA-N
XLogP3.62
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 ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(2-ethyl-1,3-thiazol-4-yl)ethyl]propan-1-amine
CID 64544094
(1S)-1-thiophen-2-yl-N-(thiophen-2-ylmethyl)ethanamine
CID 28668621
1-(1,3-thiazol-5-yl)-N-(thiophen-2-ylmethyl)ethanamine
CID 115706728
4-butan-2-yl-2-(thiophen-2-ylmethyl)-1,3-thiazole
CID 115686489
(2S)-2-[(S)-(2-ethyl-1,3-thiazol-4-yl)methylsulfinyl]-N-(thiophen-2-ylmethyl)propanamide
CID 96548280
(1S)-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-1-thiophen-2-ylethanamine
CID 81399072
(2R,3S)-3-methyl-N-(thiophen-2-ylmethyl)pentan-2-amine
CID 28669346
(1S)-N-[(1S)-1-(2-ethyl-1,3-thiazol-4-yl)ethyl]-1-quinolin-2-ylethanamine
CID 97322347
(1R)-N-[(1S)-1-(2-ethyl-1,3-thiazol-4-yl)ethyl]-1-quinolin-2-ylethanamine
CID 97322349
N-(thiophen-2-ylmethyl)-1-(2,4,5-trimethylphenyl)ethanamine
CID 43106256
2-ethyl-4-(1-iodoethyl)-1,3-thiazole
CID 137495501
(1S)-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-1-pyridin-4-ylethanamine
CID 81409765

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethyl-1,3-thiazol-4-yl)-N-(thiophen-2-ylmethyl)ethanamine?
The IUPAC name of 1-(2-ethyl-1,3-thiazol-4-yl)-N-(thiophen-2-ylmethyl)ethanamine (CID 115621932) is 1-(2-ethyl-1,3-thiazol-4-yl)-N-(thiophen-2-ylmethyl)ethanamine.
What is the SMILES notation for 1-(2-ethyl-1,3-thiazol-4-yl)-N-(thiophen-2-ylmethyl)ethanamine?
The canonical SMILES for 1-(2-ethyl-1,3-thiazol-4-yl)-N-(thiophen-2-ylmethyl)ethanamine is CCc1nc(C(C)NCc2cccs2)cs1.
What is the InChIKey of 1-(2-ethyl-1,3-thiazol-4-yl)-N-(thiophen-2-ylmethyl)ethanamine?
The InChIKey is HPPHZEXGPBFRIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2S2/c1-3-12-14-11(8-16-12)9(2)13-7-10-5-4-6-15-10/h4-6,8-9,13H,3,7H2,1-2H3.
What are the key properties of 1-(2-ethyl-1,3-thiazol-4-yl)-N-(thiophen-2-ylmethyl)ethanamine?
1-(2-ethyl-1,3-thiazol-4-yl)-N-(thiophen-2-ylmethyl)ethanamine has a molecular weight of 252.41 g/mol, XLogP of 3.62, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethyl-1,3-thiazol-4-yl)-N-(thiophen-2-ylmethyl)ethanamine is sourced from PubChem (CID 115621932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).