1-[2-(5-ethylthiophen-2-yl)-4-methyl-1,3-thiazol-5-yl]ethanamine

C12H16N2S2 — CID 62320903

IUPAC1-[2-(5-ethylthiophen-2-yl)-4-methyl-1,3-thiazol-5-yl]ethanamine
SMILESCCc1ccc(-c2nc(C)c(C(C)N)s2)s1
InChIInChI=1S/C12H16N2S2/c1-4-9-5-6-10(15-9)12-14-8(3)11(16-12)7(2)13/h5-7H,4,13H2,1-3H3
InChIKeyGMBABUDHWLXDPO-UHFFFAOYSA-N
MW252.41 g/mol
LogP3.76
Rot. Bonds3

About 1-[2-(5-ethylthiophen-2-yl)-4-methyl-1,3-thiazol-5-yl]ethanamine

1-[2-(5-ethylthiophen-2-yl)-4-methyl-1,3-thiazol-5-yl]ethanamine (PubChem CID 62320903) has the molecular formula C12H16N2S2 and a molecular weight of 252.41 g/mol. Its IUPAC name is 1-[2-(5-ethylthiophen-2-yl)-4-methyl-1,3-thiazol-5-yl]ethanamine.

Molecular Properties

Compound Name1-[2-(5-ethylthiophen-2-yl)-4-methyl-1,3-thiazol-5-yl]ethanamine
PubChem CID62320903
Molecular FormulaC12H16N2S2
Molecular Weight252.41 g/mol
Exact Mass252.08
IUPAC Name1-[2-(5-ethylthiophen-2-yl)-4-methyl-1,3-thiazol-5-yl]ethanamine
SMILESCCc1ccc(-c2nc(C)c(C(C)N)s2)s1
InChIInChI=1S/C12H16N2S2/c1-4-9-5-6-10(15-9)12-14-8(3)11(16-12)7(2)13/h5-7H,4,13H2,1-3H3
InChIKeyGMBABUDHWLXDPO-UHFFFAOYSA-N
XLogP3.76
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.41
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(5-ethylthiophen-2-yl)-4-methyl-1,3-thiazol-5-yl]ethanamine?
The IUPAC name of 1-[2-(5-ethylthiophen-2-yl)-4-methyl-1,3-thiazol-5-yl]ethanamine (CID 62320903) is 1-[2-(5-ethylthiophen-2-yl)-4-methyl-1,3-thiazol-5-yl]ethanamine.
What is the SMILES notation for 1-[2-(5-ethylthiophen-2-yl)-4-methyl-1,3-thiazol-5-yl]ethanamine?
The canonical SMILES for 1-[2-(5-ethylthiophen-2-yl)-4-methyl-1,3-thiazol-5-yl]ethanamine is CCc1ccc(-c2nc(C)c(C(C)N)s2)s1.
What is the InChIKey of 1-[2-(5-ethylthiophen-2-yl)-4-methyl-1,3-thiazol-5-yl]ethanamine?
The InChIKey is GMBABUDHWLXDPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2S2/c1-4-9-5-6-10(15-9)12-14-8(3)11(16-12)7(2)13/h5-7H,4,13H2,1-3H3.
What are the key properties of 1-[2-(5-ethylthiophen-2-yl)-4-methyl-1,3-thiazol-5-yl]ethanamine?
1-[2-(5-ethylthiophen-2-yl)-4-methyl-1,3-thiazol-5-yl]ethanamine has a molecular weight of 252.41 g/mol, XLogP of 3.76, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(5-ethylthiophen-2-yl)-4-methyl-1,3-thiazol-5-yl]ethanamine is sourced from PubChem (CID 62320903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).