1-[2-(1,4-dithian-2-yl)-1,3-thiazol-4-yl]-N-methylethanamine

C10H16N2S3 — CID 79966453

IUPAC1-[2-(1,4-dithian-2-yl)-1,3-thiazol-4-yl]-N-methylethanamine
SMILESCNC(C)c1csc(C2CSCCS2)n1
InChIInChI=1S/C10H16N2S3/c1-7(11-2)8-5-15-10(12-8)9-6-13-3-4-14-9/h5,7,9,11H,3-4,6H2,1-2H3
InChIKeyAPSUGHBOKPWAEA-UHFFFAOYSA-N
MW260.45 g/mol
LogP2.94
Rot. Bonds3

About 1-[2-(1,4-dithian-2-yl)-1,3-thiazol-4-yl]-N-methylethanamine

1-[2-(1,4-dithian-2-yl)-1,3-thiazol-4-yl]-N-methylethanamine (PubChem CID 79966453) has the molecular formula C10H16N2S3 and a molecular weight of 260.45 g/mol. Its IUPAC name is 1-[2-(1,4-dithian-2-yl)-1,3-thiazol-4-yl]-N-methylethanamine.

Molecular Properties

Compound Name1-[2-(1,4-dithian-2-yl)-1,3-thiazol-4-yl]-N-methylethanamine
PubChem CID79966453
Molecular FormulaC10H16N2S3
Molecular Weight260.45 g/mol
Exact Mass260.05
IUPAC Name1-[2-(1,4-dithian-2-yl)-1,3-thiazol-4-yl]-N-methylethanamine
SMILESCNC(C)c1csc(C2CSCCS2)n1
InChIInChI=1S/C10H16N2S3/c1-7(11-2)8-5-15-10(12-8)9-6-13-3-4-14-9/h5,7,9,11H,3-4,6H2,1-2H3
InChIKeyAPSUGHBOKPWAEA-UHFFFAOYSA-N
XLogP2.94
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.45
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-1-[2-(thian-2-yl)-1,3-thiazol-4-yl]ethanamine
CID 80627617
1-[2-(1,4-dithian-2-yl)-1,3-thiazol-4-yl]-N-methylmethanamine
CID 79966841
N-[[2-(1,4-dithian-2-yl)-1,3-thiazol-4-yl]methyl]propan-2-amine
CID 79965401
N-[[2-(1,4-dithian-2-yl)-1,3-thiazol-4-yl]methyl]cyclopropanamine
CID 79965491
N-methyl-1-[2-(oxolan-3-yl)-1,3-thiazol-4-yl]ethanamine
CID 64545521
N-methyl-1-[2-(7-oxabicyclo[2.2.1]heptan-2-yl)-1,3-thiazol-4-yl]ethanamine
CID 64544881
4-[1-(methylamino)ethyl]-1,3-thiazol-2-amine
CID 64543676
1-[2-(5,6-dimethyl-1,4-dithian-2-yl)-1,3-thiazol-4-yl]-N-ethylethanamine
CID 103346522
2-(1,4-dithian-2-yl)-6-ethyl-N-methylpyrimidin-4-amine
CID 79966167
2-(5,6-dimethyl-1,4-dithian-2-yl)-4-propan-2-yl-1,3-thiazole
CID 103347048
N-[[2-(1,4-dithian-2-yl)-4-ethyl-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 113459676
4-methyl-3-(4-propan-2-yl-1,3-thiazol-2-yl)thiomorpholine
CID 106446196

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1,4-dithian-2-yl)-1,3-thiazol-4-yl]-N-methylethanamine?
The IUPAC name of 1-[2-(1,4-dithian-2-yl)-1,3-thiazol-4-yl]-N-methylethanamine (CID 79966453) is 1-[2-(1,4-dithian-2-yl)-1,3-thiazol-4-yl]-N-methylethanamine.
What is the SMILES notation for 1-[2-(1,4-dithian-2-yl)-1,3-thiazol-4-yl]-N-methylethanamine?
The canonical SMILES for 1-[2-(1,4-dithian-2-yl)-1,3-thiazol-4-yl]-N-methylethanamine is CNC(C)c1csc(C2CSCCS2)n1.
What is the InChIKey of 1-[2-(1,4-dithian-2-yl)-1,3-thiazol-4-yl]-N-methylethanamine?
The InChIKey is APSUGHBOKPWAEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2S3/c1-7(11-2)8-5-15-10(12-8)9-6-13-3-4-14-9/h5,7,9,11H,3-4,6H2,1-2H3.
What are the key properties of 1-[2-(1,4-dithian-2-yl)-1,3-thiazol-4-yl]-N-methylethanamine?
1-[2-(1,4-dithian-2-yl)-1,3-thiazol-4-yl]-N-methylethanamine has a molecular weight of 260.45 g/mol, XLogP of 2.94, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1,4-dithian-2-yl)-1,3-thiazol-4-yl]-N-methylethanamine is sourced from PubChem (CID 79966453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).