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

C12H20N2O2S2 — CID 104997133

IUPAC1-(1,1-dioxothian-2-yl)-N-methyl-2-(2-methyl-1,3-thiazol-4-yl)ethanamine
SMILESCNC(Cc1csc(C)n1)C1CCCCS1(=O)=O
InChIInChI=1S/C12H20N2O2S2/c1-9-14-10(8-17-9)7-11(13-2)12-5-3-4-6-18(12,15)16/h8,11-13H,3-7H2,1-2H3
InChIKeyUTKCYAZQOAUUOC-UHFFFAOYSA-N
MW288.44 g/mol
LogP1.55
Rot. Bonds4

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

1-(1,1-dioxothian-2-yl)-N-methyl-2-(2-methyl-1,3-thiazol-4-yl)ethanamine (PubChem CID 104997133) has the molecular formula C12H20N2O2S2 and a molecular weight of 288.44 g/mol. Its IUPAC name is 1-(1,1-dioxothian-2-yl)-N-methyl-2-(2-methyl-1,3-thiazol-4-yl)ethanamine.

Molecular Properties

Compound Name1-(1,1-dioxothian-2-yl)-N-methyl-2-(2-methyl-1,3-thiazol-4-yl)ethanamine
PubChem CID104997133
Molecular FormulaC12H20N2O2S2
Molecular Weight288.44 g/mol
Exact Mass288.10
IUPAC Name1-(1,1-dioxothian-2-yl)-N-methyl-2-(2-methyl-1,3-thiazol-4-yl)ethanamine
SMILESCNC(Cc1csc(C)n1)C1CCCCS1(=O)=O
InChIInChI=1S/C12H20N2O2S2/c1-9-14-10(8-17-9)7-11(13-2)12-5-3-4-6-18(12,15)16/h8,11-13H,3-7H2,1-2H3
InChIKeyUTKCYAZQOAUUOC-UHFFFAOYSA-N
XLogP1.55
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(1,1-dioxothian-2-yl)-N-methyl-2-(2-methyl-1,3-thiazol-4-yl)ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-methyl-2-(2-methyl-1,3-thiazol-4-yl)-1-(thiolan-2-yl)ethanamine
CID 80621547
1-(1,1-dioxothian-2-yl)-N-methyl-2-(1-methylpyrazol-3-yl)ethanamine
CID 105025549
2-(1-benzothiophen-3-yl)-1-(1,1-dioxothian-2-yl)-N-methylethanamine
CID 115823929
[1-cyclopentyl-2-(2-methyl-1,3-thiazol-4-yl)ethyl]hydrazine
CID 105204440
2-(4-chlorophenyl)-1-(1,1-dioxothian-2-yl)-N-methylethanamine
CID 104519891
1-[2-[(1,1-dioxothian-2-yl)methyl]-1,3-thiazol-4-yl]-N-methylpropan-2-amine
CID 115088841
N-methyl-1-(2-methyl-1,3-thiazol-4-yl)-3-(oxolan-2-yl)propan-2-amine
CID 62800047
1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-N-methyl-2-(2-methyl-1,3-thiazol-4-yl)ethanamine
CID 79088688
N-[1-(1,1-dioxothian-2-yl)-2-(5-methyl-2-pyridinyl)ethyl]propan-1-amine
CID 104520163
N-[1-(2-ethylcyclohexyl)-2-(2-methyl-1,3-thiazol-4-yl)ethyl]propan-1-amine
CID 63863655
1-[2-(1,1-dioxothian-2-yl)-1,3-thiazol-4-yl]propan-2-ol
CID 115088486
1-(1,1-dioxothian-2-yl)-N-ethyl-2-(1-methyltriazol-4-yl)ethanamine
CID 107064052

Frequently Asked Questions

What is the IUPAC name of 1-(1,1-dioxothian-2-yl)-N-methyl-2-(2-methyl-1,3-thiazol-4-yl)ethanamine?
The IUPAC name of 1-(1,1-dioxothian-2-yl)-N-methyl-2-(2-methyl-1,3-thiazol-4-yl)ethanamine (CID 104997133) is 1-(1,1-dioxothian-2-yl)-N-methyl-2-(2-methyl-1,3-thiazol-4-yl)ethanamine.
What is the SMILES notation for 1-(1,1-dioxothian-2-yl)-N-methyl-2-(2-methyl-1,3-thiazol-4-yl)ethanamine?
The canonical SMILES for 1-(1,1-dioxothian-2-yl)-N-methyl-2-(2-methyl-1,3-thiazol-4-yl)ethanamine is CNC(Cc1csc(C)n1)C1CCCCS1(=O)=O.
What is the InChIKey of 1-(1,1-dioxothian-2-yl)-N-methyl-2-(2-methyl-1,3-thiazol-4-yl)ethanamine?
The InChIKey is UTKCYAZQOAUUOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2S2/c1-9-14-10(8-17-9)7-11(13-2)12-5-3-4-6-18(12,15)16/h8,11-13H,3-7H2,1-2H3.
What are the key properties of 1-(1,1-dioxothian-2-yl)-N-methyl-2-(2-methyl-1,3-thiazol-4-yl)ethanamine?
1-(1,1-dioxothian-2-yl)-N-methyl-2-(2-methyl-1,3-thiazol-4-yl)ethanamine has a molecular weight of 288.44 g/mol, XLogP of 1.55, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,1-dioxothian-2-yl)-N-methyl-2-(2-methyl-1,3-thiazol-4-yl)ethanamine is sourced from PubChem (CID 104997133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).