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

C12H20N2S3 — CID 103346715

IUPAC1-[2-(5,6-dimethyl-1,4-dithian-2-yl)-4-methyl-1,3-thiazol-5-yl]-N-methylmethanamine
SMILESCNCc1sc(C2CSC(C)C(C)S2)nc1C
InChIInChI=1S/C12H20N2S3/c1-7-10(5-13-4)17-12(14-7)11-6-15-8(2)9(3)16-11/h8-9,11,13H,5-6H2,1-4H3
InChIKeyNNCOYFMPJFOITK-UHFFFAOYSA-N
MW288.51 g/mol
LogP3.47
Rot. Bonds3

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

1-[2-(5,6-dimethyl-1,4-dithian-2-yl)-4-methyl-1,3-thiazol-5-yl]-N-methylmethanamine (PubChem CID 103346715) has the molecular formula C12H20N2S3 and a molecular weight of 288.51 g/mol. Its IUPAC name is 1-[2-(5,6-dimethyl-1,4-dithian-2-yl)-4-methyl-1,3-thiazol-5-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[2-(5,6-dimethyl-1,4-dithian-2-yl)-4-methyl-1,3-thiazol-5-yl]-N-methylmethanamine
PubChem CID103346715
Molecular FormulaC12H20N2S3
Molecular Weight288.51 g/mol
Exact Mass288.08
IUPAC Name1-[2-(5,6-dimethyl-1,4-dithian-2-yl)-4-methyl-1,3-thiazol-5-yl]-N-methylmethanamine
SMILESCNCc1sc(C2CSC(C)C(C)S2)nc1C
InChIInChI=1S/C12H20N2S3/c1-7-10(5-13-4)17-12(14-7)11-6-15-8(2)9(3)16-11/h8-9,11,13H,5-6H2,1-4H3
InChIKeyNNCOYFMPJFOITK-UHFFFAOYSA-N
XLogP3.47
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.51
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(5,6-dimethyl-1,4-dithian-2-yl)-4-methyl-1,3-thiazol-5-yl]-N-methylmethanamine?
The IUPAC name of 1-[2-(5,6-dimethyl-1,4-dithian-2-yl)-4-methyl-1,3-thiazol-5-yl]-N-methylmethanamine (CID 103346715) is 1-[2-(5,6-dimethyl-1,4-dithian-2-yl)-4-methyl-1,3-thiazol-5-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[2-(5,6-dimethyl-1,4-dithian-2-yl)-4-methyl-1,3-thiazol-5-yl]-N-methylmethanamine?
The canonical SMILES for 1-[2-(5,6-dimethyl-1,4-dithian-2-yl)-4-methyl-1,3-thiazol-5-yl]-N-methylmethanamine is CNCc1sc(C2CSC(C)C(C)S2)nc1C.
What is the InChIKey of 1-[2-(5,6-dimethyl-1,4-dithian-2-yl)-4-methyl-1,3-thiazol-5-yl]-N-methylmethanamine?
The InChIKey is NNCOYFMPJFOITK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2S3/c1-7-10(5-13-4)17-12(14-7)11-6-15-8(2)9(3)16-11/h8-9,11,13H,5-6H2,1-4H3.
What are the key properties of 1-[2-(5,6-dimethyl-1,4-dithian-2-yl)-4-methyl-1,3-thiazol-5-yl]-N-methylmethanamine?
1-[2-(5,6-dimethyl-1,4-dithian-2-yl)-4-methyl-1,3-thiazol-5-yl]-N-methylmethanamine has a molecular weight of 288.51 g/mol, XLogP of 3.47, 3 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)-4-methyl-1,3-thiazol-5-yl]-N-methylmethanamine is sourced from PubChem (CID 103346715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).