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

C10H16N2S3 — CID 115388356

IUPAC1-[2-(3-methyl-1,4-dithian-2-yl)-1,3-thiazol-4-yl]ethanamine
SMILESCC(N)c1csc(C2SCCSC2C)n1
InChIInChI=1S/C10H16N2S3/c1-6(11)8-5-15-10(12-8)9-7(2)13-3-4-14-9/h5-7,9H,3-4,11H2,1-2H3
InChIKeyINSPFANBJDZYJA-UHFFFAOYSA-N
MW260.45 g/mol
LogP3.07
Rot. Bonds2

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

1-[2-(3-methyl-1,4-dithian-2-yl)-1,3-thiazol-4-yl]ethanamine (PubChem CID 115388356) has the molecular formula C10H16N2S3 and a molecular weight of 260.45 g/mol. Its IUPAC name is 1-[2-(3-methyl-1,4-dithian-2-yl)-1,3-thiazol-4-yl]ethanamine.

Molecular Properties

Compound Name1-[2-(3-methyl-1,4-dithian-2-yl)-1,3-thiazol-4-yl]ethanamine
PubChem CID115388356
Molecular FormulaC10H16N2S3
Molecular Weight260.45 g/mol
Exact Mass260.05
IUPAC Name1-[2-(3-methyl-1,4-dithian-2-yl)-1,3-thiazol-4-yl]ethanamine
SMILESCC(N)c1csc(C2SCCSC2C)n1
InChIInChI=1S/C10H16N2S3/c1-6(11)8-5-15-10(12-8)9-7(2)13-3-4-14-9/h5-7,9H,3-4,11H2,1-2H3
InChIKeyINSPFANBJDZYJA-UHFFFAOYSA-N
XLogP3.07
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.45
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-2-[2-(3-methyl-1,4-dithian-2-yl)-1,3-thiazol-4-yl]acetic acid
CID 104527236
1-(2-cyclooctyl-1,3-thiazol-4-yl)ethanamine
CID 80609462
1-[2-(4-methylthiomorpholin-3-yl)-1,3-thiazol-4-yl]ethanamine
CID 106445606
1-[2-(1-propan-2-ylpiperidin-4-yl)-1,3-thiazol-4-yl]ethanamine
CID 115087846
1-[2-(1-methylpiperidin-2-yl)-1,3-thiazol-4-yl]ethanamine
CID 115088531
2-(5,6-dimethyl-1,4-dithian-2-yl)-4-propan-2-yl-1,3-thiazole
CID 103347048
4-(1-aminoethyl)-1,3-thiazol-2-amine
CID 64545491
1-[2-(3-ethylcyclohexyl)-1,3-thiazol-4-yl]ethanamine
CID 65415626
(1S)-1-(2-ethyl-1,3-thiazol-4-yl)ethanamine
CID 51898160
N-[[4-ethyl-2-(3-methyl-1,4-dithian-2-yl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine
CID 104842108
4-(1-aminoethyl)-N-cyclopropyl-N-ethyl-1,3-thiazol-2-amine
CID 64543335
3-[2-(2,2-dimethylcyclopropyl)-1,3-thiazol-4-yl]butan-2-amine
CID 107925920

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-methyl-1,4-dithian-2-yl)-1,3-thiazol-4-yl]ethanamine?
The IUPAC name of 1-[2-(3-methyl-1,4-dithian-2-yl)-1,3-thiazol-4-yl]ethanamine (CID 115388356) is 1-[2-(3-methyl-1,4-dithian-2-yl)-1,3-thiazol-4-yl]ethanamine.
What is the SMILES notation for 1-[2-(3-methyl-1,4-dithian-2-yl)-1,3-thiazol-4-yl]ethanamine?
The canonical SMILES for 1-[2-(3-methyl-1,4-dithian-2-yl)-1,3-thiazol-4-yl]ethanamine is CC(N)c1csc(C2SCCSC2C)n1.
What is the InChIKey of 1-[2-(3-methyl-1,4-dithian-2-yl)-1,3-thiazol-4-yl]ethanamine?
The InChIKey is INSPFANBJDZYJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2S3/c1-6(11)8-5-15-10(12-8)9-7(2)13-3-4-14-9/h5-7,9H,3-4,11H2,1-2H3.
What are the key properties of 1-[2-(3-methyl-1,4-dithian-2-yl)-1,3-thiazol-4-yl]ethanamine?
1-[2-(3-methyl-1,4-dithian-2-yl)-1,3-thiazol-4-yl]ethanamine has a molecular weight of 260.45 g/mol, XLogP of 3.07, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-methyl-1,4-dithian-2-yl)-1,3-thiazol-4-yl]ethanamine is sourced from PubChem (CID 115388356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).