1-[2-(5,6-dimethyl-1,4-dithian-2-yl)-1,3-thiazol-4-yl]-N-ethylethanamine

C13H22N2S3 — CID 103346522

IUPAC1-[2-(5,6-dimethyl-1,4-dithian-2-yl)-1,3-thiazol-4-yl]-N-ethylethanamine
SMILESCCNC(C)c1csc(C2CSC(C)C(C)S2)n1
InChIInChI=1S/C13H22N2S3/c1-5-14-8(2)11-6-17-13(15-11)12-7-16-9(3)10(4)18-12/h6,8-10,12,14H,5,7H2,1-4H3
InChIKeyJEXJGKAHADXRNL-UHFFFAOYSA-N
MW302.53 g/mol
LogP4.11
Rot. Bonds4

About 1-[2-(5,6-dimethyl-1,4-dithian-2-yl)-1,3-thiazol-4-yl]-N-ethylethanamine

1-[2-(5,6-dimethyl-1,4-dithian-2-yl)-1,3-thiazol-4-yl]-N-ethylethanamine (PubChem CID 103346522) has the molecular formula C13H22N2S3 and a molecular weight of 302.53 g/mol. Its IUPAC name is 1-[2-(5,6-dimethyl-1,4-dithian-2-yl)-1,3-thiazol-4-yl]-N-ethylethanamine.

Molecular Properties

Compound Name1-[2-(5,6-dimethyl-1,4-dithian-2-yl)-1,3-thiazol-4-yl]-N-ethylethanamine
PubChem CID103346522
Molecular FormulaC13H22N2S3
Molecular Weight302.53 g/mol
Exact Mass302.09
IUPAC Name1-[2-(5,6-dimethyl-1,4-dithian-2-yl)-1,3-thiazol-4-yl]-N-ethylethanamine
SMILESCCNC(C)c1csc(C2CSC(C)C(C)S2)n1
InChIInChI=1S/C13H22N2S3/c1-5-14-8(2)11-6-17-13(15-11)12-7-16-9(3)10(4)18-12/h6,8-10,12,14H,5,7H2,1-4H3
InChIKeyJEXJGKAHADXRNL-UHFFFAOYSA-N
XLogP4.11
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.53
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(5,6-dimethyl-1,4-dithian-2-yl)-4-propan-2-yl-1,3-thiazole
CID 103347048
N-ethyl-1-[2-(3-methylcyclopentyl)-1,3-thiazol-4-yl]ethanamine
CID 65415825
4-[1-(ethylamino)ethyl]-N,N-dimethyl-1,3-thiazol-2-amine
CID 64542711
N-ethyl-1-(2-pentan-3-yl-1,3-thiazol-4-yl)ethanamine
CID 64545111
N,N-diethyl-4-[1-(ethylamino)ethyl]-1,3-thiazol-2-amine
CID 64542709
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-methylethanamine
CID 79966453
1-[2-(3,4-dimethylpiperazin-1-yl)-1,3-thiazol-4-yl]-N-ethylethanamine
CID 64543177
1-(5,6-dimethyl-1,4-dithian-2-yl)-N-ethyl-2-methylpropan-1-amine
CID 103346159
4-[1-(ethylamino)ethyl]-N-methyl-N-propan-2-yl-1,3-thiazol-2-amine
CID 64545140
2-(5,6-dimethyl-1,4-dithian-2-yl)-N-ethyl-5-iodo-6-propan-2-ylpyrimidin-4-amine
CID 103346661
N-cyclopropyl-4-[1-(ethylamino)ethyl]-N-(2-methylpropyl)-1,3-thiazol-2-amine
CID 64543352

Frequently Asked Questions

What is the IUPAC name of 1-[2-(5,6-dimethyl-1,4-dithian-2-yl)-1,3-thiazol-4-yl]-N-ethylethanamine?
The IUPAC name of 1-[2-(5,6-dimethyl-1,4-dithian-2-yl)-1,3-thiazol-4-yl]-N-ethylethanamine (CID 103346522) is 1-[2-(5,6-dimethyl-1,4-dithian-2-yl)-1,3-thiazol-4-yl]-N-ethylethanamine.
What is the SMILES notation for 1-[2-(5,6-dimethyl-1,4-dithian-2-yl)-1,3-thiazol-4-yl]-N-ethylethanamine?
The canonical SMILES for 1-[2-(5,6-dimethyl-1,4-dithian-2-yl)-1,3-thiazol-4-yl]-N-ethylethanamine is CCNC(C)c1csc(C2CSC(C)C(C)S2)n1.
What is the InChIKey of 1-[2-(5,6-dimethyl-1,4-dithian-2-yl)-1,3-thiazol-4-yl]-N-ethylethanamine?
The InChIKey is JEXJGKAHADXRNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2S3/c1-5-14-8(2)11-6-17-13(15-11)12-7-16-9(3)10(4)18-12/h6,8-10,12,14H,5,7H2,1-4H3.
What are the key properties of 1-[2-(5,6-dimethyl-1,4-dithian-2-yl)-1,3-thiazol-4-yl]-N-ethylethanamine?
1-[2-(5,6-dimethyl-1,4-dithian-2-yl)-1,3-thiazol-4-yl]-N-ethylethanamine has a molecular weight of 302.53 g/mol, XLogP of 4.11, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(5,6-dimethyl-1,4-dithian-2-yl)-1,3-thiazol-4-yl]-N-ethylethanamine is sourced from PubChem (CID 103346522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).