1-(3-ethylthiophen-2-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanamine

C12H16N2S2 — CID 104996976

IUPAC1-(3-ethylthiophen-2-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanamine
SMILESCCc1ccsc1C(N)Cc1csc(C)n1
InChIInChI=1S/C12H16N2S2/c1-3-9-4-5-15-12(9)11(13)6-10-7-16-8(2)14-10/h4-5,7,11H,3,6,13H2,1-2H3
InChIKeyCIKNELPDWFXCJP-UHFFFAOYSA-N
MW252.41 g/mol
LogP3.32
Rot. Bonds4

About 1-(3-ethylthiophen-2-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanamine

1-(3-ethylthiophen-2-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanamine (PubChem CID 104996976) has the molecular formula C12H16N2S2 and a molecular weight of 252.41 g/mol. Its IUPAC name is 1-(3-ethylthiophen-2-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanamine.

Molecular Properties

Compound Name1-(3-ethylthiophen-2-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanamine
PubChem CID104996976
Molecular FormulaC12H16N2S2
Molecular Weight252.41 g/mol
Exact Mass252.08
IUPAC Name1-(3-ethylthiophen-2-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanamine
SMILESCCc1ccsc1C(N)Cc1csc(C)n1
InChIInChI=1S/C12H16N2S2/c1-3-9-4-5-15-12(9)11(13)6-10-7-16-8(2)14-10/h4-5,7,11H,3,6,13H2,1-2H3
InChIKeyCIKNELPDWFXCJP-UHFFFAOYSA-N
XLogP3.32
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.41
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-(3-ethylthiophen-2-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethyl]hydrazine
CID 105316099
2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(3-ethylthiophen-2-yl)ethanamine
CID 105019639
1-(3-ethylthiophen-2-yl)-2-pyridin-2-ylethanamine
CID 79975756
2-(2,6-dimethylphenyl)-1-(3-ethylthiophen-2-yl)ethanamine
CID 105024445
2-(1-butan-2-ylpyrazol-3-yl)-1-(3-ethylthiophen-2-yl)ethanamine
CID 104989680
(2S)-1-(2-methyl-1,3-thiazol-4-yl)butan-2-amine
CID 94607240
1-(2-methyl-1,3-thiazol-4-yl)butan-2-amine
CID 62798804
2-(1,3-diethylpyrazol-5-yl)-1-(3-ethylthiophen-2-yl)ethanamine
CID 105001574
1-(2-methylfuran-3-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanamine
CID 104789770
4-ethyl-2-methyl-1,3-thiazole;hydrochloride
CID 141419064
1-(3-ethylthiophen-2-yl)hexan-1-amine
CID 115837119
[1-(2-ethylphenyl)-2-(2-methyl-1,3-thiazol-4-yl)ethyl]hydrazine
CID 105316230

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethylthiophen-2-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanamine?
The IUPAC name of 1-(3-ethylthiophen-2-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanamine (CID 104996976) is 1-(3-ethylthiophen-2-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanamine.
What is the SMILES notation for 1-(3-ethylthiophen-2-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanamine?
The canonical SMILES for 1-(3-ethylthiophen-2-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanamine is CCc1ccsc1C(N)Cc1csc(C)n1.
What is the InChIKey of 1-(3-ethylthiophen-2-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanamine?
The InChIKey is CIKNELPDWFXCJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2S2/c1-3-9-4-5-15-12(9)11(13)6-10-7-16-8(2)14-10/h4-5,7,11H,3,6,13H2,1-2H3.
What are the key properties of 1-(3-ethylthiophen-2-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanamine?
1-(3-ethylthiophen-2-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanamine has a molecular weight of 252.41 g/mol, XLogP of 3.32, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethylthiophen-2-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanamine is sourced from PubChem (CID 104996976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).