1-(5-ethylthiophen-2-yl)-N-methyl-2-(1,3-thiazol-2-yl)ethanamine

C12H16N2S2 — CID 105015058

IUPAC1-(5-ethylthiophen-2-yl)-N-methyl-2-(1,3-thiazol-2-yl)ethanamine
SMILESCCc1ccc(C(Cc2nccs2)NC)s1
InChIInChI=1S/C12H16N2S2/c1-3-9-4-5-11(16-9)10(13-2)8-12-14-6-7-15-12/h4-7,10,13H,3,8H2,1-2H3
InChIKeyPZBNNGAVXHSPBK-UHFFFAOYSA-N
MW252.41 g/mol
LogP3.27
Rot. Bonds5

About 1-(5-ethylthiophen-2-yl)-N-methyl-2-(1,3-thiazol-2-yl)ethanamine

1-(5-ethylthiophen-2-yl)-N-methyl-2-(1,3-thiazol-2-yl)ethanamine (PubChem CID 105015058) has the molecular formula C12H16N2S2 and a molecular weight of 252.41 g/mol. Its IUPAC name is 1-(5-ethylthiophen-2-yl)-N-methyl-2-(1,3-thiazol-2-yl)ethanamine.

Molecular Properties

Compound Name1-(5-ethylthiophen-2-yl)-N-methyl-2-(1,3-thiazol-2-yl)ethanamine
PubChem CID105015058
Molecular FormulaC12H16N2S2
Molecular Weight252.41 g/mol
Exact Mass252.08
IUPAC Name1-(5-ethylthiophen-2-yl)-N-methyl-2-(1,3-thiazol-2-yl)ethanamine
SMILESCCc1ccc(C(Cc2nccs2)NC)s1
InChIInChI=1S/C12H16N2S2/c1-3-9-4-5-11(16-9)10(13-2)8-12-14-6-7-15-12/h4-7,10,13H,3,8H2,1-2H3
InChIKeyPZBNNGAVXHSPBK-UHFFFAOYSA-N
XLogP3.27
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 ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-ethylthiophen-2-yl)-N-methyl-2-(4-methylphenyl)ethanamine
CID 43480719
1-(furan-2-yl)-N-methyl-2-(1,3-thiazol-2-yl)ethanamine
CID 79825248
1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-N-methyl-2-(1,3-thiazol-2-yl)ethanamine
CID 105014840
N-methyl-1-pyrimidin-5-yl-2-(1,3-thiazol-2-yl)ethanamine
CID 102923665
2-(2-ethyl-5-methylpyrazol-3-yl)-1-(5-ethylthiophen-2-yl)-N-methylethanamine
CID 105002673
1-[4-(difluoromethoxy)phenyl]-N-methyl-2-(1,3-thiazol-2-yl)ethanamine
CID 105015149
2-(2,5-dichlorophenyl)-1-(5-ethylthiophen-2-yl)-N-methylethanamine
CID 115863104
2-(3-chlorophenyl)-1-(5-ethylthiophen-2-yl)-N-methylethanamine
CID 62504774
1-(5-ethylthiophen-2-yl)-2-(5-fluoro-2-methylphenyl)-N-methylethanamine
CID 105377421
1-(2,5-dibromothiophen-3-yl)-N-methyl-2-(1,3-thiazol-2-yl)ethanamine
CID 107968755
(1R)-1-(5-ethylthiophen-2-yl)-N-methylethanamine
CID 55277214
2-(3-bromo-5-fluorophenyl)-1-(5-ethylthiophen-2-yl)-N-methylethanamine
CID 105015574

Frequently Asked Questions

What is the IUPAC name of 1-(5-ethylthiophen-2-yl)-N-methyl-2-(1,3-thiazol-2-yl)ethanamine?
The IUPAC name of 1-(5-ethylthiophen-2-yl)-N-methyl-2-(1,3-thiazol-2-yl)ethanamine (CID 105015058) is 1-(5-ethylthiophen-2-yl)-N-methyl-2-(1,3-thiazol-2-yl)ethanamine.
What is the SMILES notation for 1-(5-ethylthiophen-2-yl)-N-methyl-2-(1,3-thiazol-2-yl)ethanamine?
The canonical SMILES for 1-(5-ethylthiophen-2-yl)-N-methyl-2-(1,3-thiazol-2-yl)ethanamine is CCc1ccc(C(Cc2nccs2)NC)s1.
What is the InChIKey of 1-(5-ethylthiophen-2-yl)-N-methyl-2-(1,3-thiazol-2-yl)ethanamine?
The InChIKey is PZBNNGAVXHSPBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2S2/c1-3-9-4-5-11(16-9)10(13-2)8-12-14-6-7-15-12/h4-7,10,13H,3,8H2,1-2H3.
What are the key properties of 1-(5-ethylthiophen-2-yl)-N-methyl-2-(1,3-thiazol-2-yl)ethanamine?
1-(5-ethylthiophen-2-yl)-N-methyl-2-(1,3-thiazol-2-yl)ethanamine has a molecular weight of 252.41 g/mol, XLogP of 3.27, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-ethylthiophen-2-yl)-N-methyl-2-(1,3-thiazol-2-yl)ethanamine is sourced from PubChem (CID 105015058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).