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

C10H16N2S2 — CID 115089939

IUPAC1-[2-(thian-4-yl)-1,3-thiazol-5-yl]ethanamine
SMILESCC(N)c1cnc(C2CCSCC2)s1
InChIInChI=1S/C10H16N2S2/c1-7(11)9-6-12-10(14-9)8-2-4-13-5-3-8/h6-8H,2-5,11H2,1H3
InChIKeyYIYNEFHQVAMKCD-UHFFFAOYSA-N
MW228.39 g/mol
LogP2.77
Rot. Bonds2

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

1-[2-(thian-4-yl)-1,3-thiazol-5-yl]ethanamine (PubChem CID 115089939) has the molecular formula C10H16N2S2 and a molecular weight of 228.39 g/mol. Its IUPAC name is 1-[2-(thian-4-yl)-1,3-thiazol-5-yl]ethanamine.

Molecular Properties

Compound Name1-[2-(thian-4-yl)-1,3-thiazol-5-yl]ethanamine
PubChem CID115089939
Molecular FormulaC10H16N2S2
Molecular Weight228.39 g/mol
Exact Mass228.08
IUPAC Name1-[2-(thian-4-yl)-1,3-thiazol-5-yl]ethanamine
SMILESCC(N)c1cnc(C2CCSCC2)s1
InChIInChI=1S/C10H16N2S2/c1-7(11)9-6-12-10(14-9)8-2-4-13-5-3-8/h6-8H,2-5,11H2,1H3
InChIKeyYIYNEFHQVAMKCD-UHFFFAOYSA-N
XLogP2.77
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.39
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1,3-thiazol-5-yl]ethanamine
CID 112681621
1-[2-(thiolan-3-yl)-1,3-thiazol-5-yl]ethanol
CID 115089750
1-[2-(1-propan-2-ylpyrrolidin-3-yl)-1,3-thiazol-5-yl]ethanamine
CID 115089818
1-(2-cycloheptyl-1,3-thiazol-5-yl)-N-methylethanamine
CID 65399762
1-[2-(1,1-dioxothian-3-yl)-1,3-thiazol-5-yl]ethanamine
CID 115090388
1-(2-piperidin-2-yl-1,3-thiazol-5-yl)ethanamine
CID 115090671
2-[2-(thian-3-yl)-1,3-thiazol-5-yl]propan-1-amine
CID 115090378
1-(2-thiomorpholin-4-yl-1,3-thiazol-5-yl)ethanamine
CID 62750156
1-(2-piperidin-4-yl-1,3-thiazol-5-yl)ethanol
CID 115089882
2-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]propan-1-amine
CID 115089931
2-[2-(thiolan-2-yl)-1,3-thiazol-5-yl]propan-1-amine
CID 115090515
1-[2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1,3-thiazol-5-yl]ethanamine
CID 64984326

Frequently Asked Questions

What is the IUPAC name of 1-[2-(thian-4-yl)-1,3-thiazol-5-yl]ethanamine?
The IUPAC name of 1-[2-(thian-4-yl)-1,3-thiazol-5-yl]ethanamine (CID 115089939) is 1-[2-(thian-4-yl)-1,3-thiazol-5-yl]ethanamine.
What is the SMILES notation for 1-[2-(thian-4-yl)-1,3-thiazol-5-yl]ethanamine?
The canonical SMILES for 1-[2-(thian-4-yl)-1,3-thiazol-5-yl]ethanamine is CC(N)c1cnc(C2CCSCC2)s1.
What is the InChIKey of 1-[2-(thian-4-yl)-1,3-thiazol-5-yl]ethanamine?
The InChIKey is YIYNEFHQVAMKCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2S2/c1-7(11)9-6-12-10(14-9)8-2-4-13-5-3-8/h6-8H,2-5,11H2,1H3.
What are the key properties of 1-[2-(thian-4-yl)-1,3-thiazol-5-yl]ethanamine?
1-[2-(thian-4-yl)-1,3-thiazol-5-yl]ethanamine has a molecular weight of 228.39 g/mol, XLogP of 2.77, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(thian-4-yl)-1,3-thiazol-5-yl]ethanamine is sourced from PubChem (CID 115089939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).