2-(5-propan-2-yl-4-thiophen-2-yl-1,3-thiazol-2-yl)ethanamine

C12H16N2S2 — CID 39356102

IUPAC2-(5-propan-2-yl-4-thiophen-2-yl-1,3-thiazol-2-yl)ethanamine
SMILESCC(C)c1sc(CCN)nc1-c1cccs1
InChIInChI=1S/C12H16N2S2/c1-8(2)12-11(9-4-3-7-15-9)14-10(16-12)5-6-13/h3-4,7-8H,5-6,13H2,1-2H3
InChIKeyFVCFRHOSVOSRNE-UHFFFAOYSA-N
MW252.41 g/mol
LogP3.50
Rot. Bonds4

About 2-(5-propan-2-yl-4-thiophen-2-yl-1,3-thiazol-2-yl)ethanamine

2-(5-propan-2-yl-4-thiophen-2-yl-1,3-thiazol-2-yl)ethanamine (PubChem CID 39356102) has the molecular formula C12H16N2S2 and a molecular weight of 252.41 g/mol. Its IUPAC name is 2-(5-propan-2-yl-4-thiophen-2-yl-1,3-thiazol-2-yl)ethanamine.

Molecular Properties

Compound Name2-(5-propan-2-yl-4-thiophen-2-yl-1,3-thiazol-2-yl)ethanamine
PubChem CID39356102
Molecular FormulaC12H16N2S2
Molecular Weight252.41 g/mol
Exact Mass252.08
IUPAC Name2-(5-propan-2-yl-4-thiophen-2-yl-1,3-thiazol-2-yl)ethanamine
SMILESCC(C)c1sc(CCN)nc1-c1cccs1
InChIInChI=1S/C12H16N2S2/c1-8(2)12-11(9-4-3-7-15-9)14-10(16-12)5-6-13/h3-4,7-8H,5-6,13H2,1-2H3
InChIKeyFVCFRHOSVOSRNE-UHFFFAOYSA-N
XLogP3.50
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 ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(5-propan-2-yl-4-pyridin-4-yl-1,3-thiazol-2-yl)ethanamine
CID 82106871
2-(2-propyl-4-thiophen-2-yl-1,3-thiazol-5-yl)ethanamine
CID 82069570
2-[4-(3-chloro-4-fluorophenyl)-5-propan-2-yl-1,3-thiazol-2-yl]ethanamine
CID 82106779
3-(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)butan-1-amine
CID 116884789
(5-propan-2-yl-3-thiophen-2-yl-1H-pyrazol-4-yl)methanamine
CID 121212364
2-(4-thiophen-2-yl-1H-imidazol-5-yl)ethanamine
CID 39101600
5-thiophen-2-yl-2H-triazol-4-amine
CID 54057272
(2-methyl-4-thiophen-2-yl-1H-imidazol-5-yl)methanamine
CID 82281661
2-(3-pyridin-4-yl-6-thiophen-2-ylimidazo[2,1-b][1,3]thiazol-5-yl)ethanamine
CID 82062566
[4-(3-fluorophenyl)-5-propan-2-yl-1,3-thiazol-2-yl]methanamine
CID 82106665
[4-(4-ethylphenyl)-5-propan-2-yl-1,3-thiazol-2-yl]methanamine
CID 39360934
5-ethyl-4-thiophen-2-yl-1,3-thiazol-2-amine;hydrochloride
CID 46736490

Frequently Asked Questions

What is the IUPAC name of 2-(5-propan-2-yl-4-thiophen-2-yl-1,3-thiazol-2-yl)ethanamine?
The IUPAC name of 2-(5-propan-2-yl-4-thiophen-2-yl-1,3-thiazol-2-yl)ethanamine (CID 39356102) is 2-(5-propan-2-yl-4-thiophen-2-yl-1,3-thiazol-2-yl)ethanamine.
What is the SMILES notation for 2-(5-propan-2-yl-4-thiophen-2-yl-1,3-thiazol-2-yl)ethanamine?
The canonical SMILES for 2-(5-propan-2-yl-4-thiophen-2-yl-1,3-thiazol-2-yl)ethanamine is CC(C)c1sc(CCN)nc1-c1cccs1.
What is the InChIKey of 2-(5-propan-2-yl-4-thiophen-2-yl-1,3-thiazol-2-yl)ethanamine?
The InChIKey is FVCFRHOSVOSRNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2S2/c1-8(2)12-11(9-4-3-7-15-9)14-10(16-12)5-6-13/h3-4,7-8H,5-6,13H2,1-2H3.
What are the key properties of 2-(5-propan-2-yl-4-thiophen-2-yl-1,3-thiazol-2-yl)ethanamine?
2-(5-propan-2-yl-4-thiophen-2-yl-1,3-thiazol-2-yl)ethanamine has a molecular weight of 252.41 g/mol, XLogP of 3.50, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-propan-2-yl-4-thiophen-2-yl-1,3-thiazol-2-yl)ethanamine is sourced from PubChem (CID 39356102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).