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

C10H16N2S3 — CID 115386560

IUPAC1-(3-methyl-1,4-dithian-2-yl)-2-(1,3-thiazol-2-yl)ethanamine
SMILESCC1SCCSC1C(N)Cc1nccs1
InChIInChI=1S/C10H16N2S3/c1-7-10(15-5-4-13-7)8(11)6-9-12-2-3-14-9/h2-3,7-8,10H,4-6,11H2,1H3
InChIKeySOMKPPYFVLVMFD-UHFFFAOYSA-N
MW260.45 g/mol
LogP2.25
Rot. Bonds3

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

1-(3-methyl-1,4-dithian-2-yl)-2-(1,3-thiazol-2-yl)ethanamine (PubChem CID 115386560) has the molecular formula C10H16N2S3 and a molecular weight of 260.45 g/mol. Its IUPAC name is 1-(3-methyl-1,4-dithian-2-yl)-2-(1,3-thiazol-2-yl)ethanamine.

Molecular Properties

Compound Name1-(3-methyl-1,4-dithian-2-yl)-2-(1,3-thiazol-2-yl)ethanamine
PubChem CID115386560
Molecular FormulaC10H16N2S3
Molecular Weight260.45 g/mol
Exact Mass260.05
IUPAC Name1-(3-methyl-1,4-dithian-2-yl)-2-(1,3-thiazol-2-yl)ethanamine
SMILESCC1SCCSC1C(N)Cc1nccs1
InChIInChI=1S/C10H16N2S3/c1-7-10(15-5-4-13-7)8(11)6-9-12-2-3-14-9/h2-3,7-8,10H,4-6,11H2,1H3
InChIKeySOMKPPYFVLVMFD-UHFFFAOYSA-N
XLogP2.25
TPSA38.91 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 ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3-methyl-1,4-dithian-2-yl)-2-phenylethanamine
CID 115386572
1-(2,2,3,3-tetramethylcyclopropyl)-2-(1,3-thiazol-2-yl)ethanamine
CID 105015162
2-(4-ethylphenyl)-1-(3-methyl-1,4-dithian-2-yl)ethanamine
CID 115386577
2-(5-bromo-2-pyridinyl)-1-(3-methyl-1,4-dithian-2-yl)ethanamine
CID 104803700
1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-2-(1,3-thiazol-2-yl)ethanamine
CID 79823604
1-(3-methyl-1,4-dithian-2-yl)-3-thiophen-3-ylpropan-1-amine
CID 115386725
3-ethyl-1-(1,3-thiazol-2-yl)pentan-2-amine
CID 105015255
3-ethyl-1-(3-methyl-1,4-dithian-2-yl)pentan-1-amine
CID 82922480
1-(2,3-dihydro-1-benzothiophen-2-yl)-2-(1,3-thiazol-2-yl)ethanamine
CID 105169029
1-(1,3-thiazol-2-yl)propane-2-thiol
CID 57089888
1-cyclohexyl-3-(1,3-thiazol-2-yl)propan-2-amine
CID 105014924
1-(2,3-dihydro-1,4-benzodioxin-3-yl)-2-(1,3-thiazol-2-yl)ethanamine
CID 79823829

Frequently Asked Questions

What is the IUPAC name of 1-(3-methyl-1,4-dithian-2-yl)-2-(1,3-thiazol-2-yl)ethanamine?
The IUPAC name of 1-(3-methyl-1,4-dithian-2-yl)-2-(1,3-thiazol-2-yl)ethanamine (CID 115386560) is 1-(3-methyl-1,4-dithian-2-yl)-2-(1,3-thiazol-2-yl)ethanamine.
What is the SMILES notation for 1-(3-methyl-1,4-dithian-2-yl)-2-(1,3-thiazol-2-yl)ethanamine?
The canonical SMILES for 1-(3-methyl-1,4-dithian-2-yl)-2-(1,3-thiazol-2-yl)ethanamine is CC1SCCSC1C(N)Cc1nccs1.
What is the InChIKey of 1-(3-methyl-1,4-dithian-2-yl)-2-(1,3-thiazol-2-yl)ethanamine?
The InChIKey is SOMKPPYFVLVMFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2S3/c1-7-10(15-5-4-13-7)8(11)6-9-12-2-3-14-9/h2-3,7-8,10H,4-6,11H2,1H3.
What are the key properties of 1-(3-methyl-1,4-dithian-2-yl)-2-(1,3-thiazol-2-yl)ethanamine?
1-(3-methyl-1,4-dithian-2-yl)-2-(1,3-thiazol-2-yl)ethanamine has a molecular weight of 260.45 g/mol, XLogP of 2.25, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methyl-1,4-dithian-2-yl)-2-(1,3-thiazol-2-yl)ethanamine is sourced from PubChem (CID 115386560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).