2-(1,1-dioxothiolan-3-yl)-N-methyl-3-(2-methyl-1,3-thiazol-5-yl)propan-1-amine

C12H20N2O2S2 — CID 55143295

IUPAC2-(1,1-dioxothiolan-3-yl)-N-methyl-3-(2-methyl-1,3-thiazol-5-yl)propan-1-amine
SMILESCNCC(Cc1cnc(C)s1)C1CCS(=O)(=O)C1
InChIInChI=1S/C12H20N2O2S2/c1-9-14-7-12(17-9)5-11(6-13-2)10-3-4-18(15,16)8-10/h7,10-11,13H,3-6,8H2,1-2H3
InChIKeyDPCNZVPLEGCXJZ-UHFFFAOYSA-N
MW288.44 g/mol
LogP1.26
Rot. Bonds5

About 2-(1,1-dioxothiolan-3-yl)-N-methyl-3-(2-methyl-1,3-thiazol-5-yl)propan-1-amine

2-(1,1-dioxothiolan-3-yl)-N-methyl-3-(2-methyl-1,3-thiazol-5-yl)propan-1-amine (PubChem CID 55143295) has the molecular formula C12H20N2O2S2 and a molecular weight of 288.44 g/mol. Its IUPAC name is 2-(1,1-dioxothiolan-3-yl)-N-methyl-3-(2-methyl-1,3-thiazol-5-yl)propan-1-amine.

Molecular Properties

Compound Name2-(1,1-dioxothiolan-3-yl)-N-methyl-3-(2-methyl-1,3-thiazol-5-yl)propan-1-amine
PubChem CID55143295
Molecular FormulaC12H20N2O2S2
Molecular Weight288.44 g/mol
Exact Mass288.10
IUPAC Name2-(1,1-dioxothiolan-3-yl)-N-methyl-3-(2-methyl-1,3-thiazol-5-yl)propan-1-amine
SMILESCNCC(Cc1cnc(C)s1)C1CCS(=O)(=O)C1
InChIInChI=1S/C12H20N2O2S2/c1-9-14-7-12(17-9)5-11(6-13-2)10-3-4-18(15,16)8-10/h7,10-11,13H,3-6,8H2,1-2H3
InChIKeyDPCNZVPLEGCXJZ-UHFFFAOYSA-N
XLogP1.26
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(1,1-dioxothiolan-3-yl)-N-methyl-3-(2-methyl-1,3-thiazol-5-yl)propan-1-amine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(1,1-dioxothiolan-3-yl)-N-methyl-3-(2-methyl-1,3-thiazol-5-yl)propan-1-amine?
The IUPAC name of 2-(1,1-dioxothiolan-3-yl)-N-methyl-3-(2-methyl-1,3-thiazol-5-yl)propan-1-amine (CID 55143295) is 2-(1,1-dioxothiolan-3-yl)-N-methyl-3-(2-methyl-1,3-thiazol-5-yl)propan-1-amine.
What is the SMILES notation for 2-(1,1-dioxothiolan-3-yl)-N-methyl-3-(2-methyl-1,3-thiazol-5-yl)propan-1-amine?
The canonical SMILES for 2-(1,1-dioxothiolan-3-yl)-N-methyl-3-(2-methyl-1,3-thiazol-5-yl)propan-1-amine is CNCC(Cc1cnc(C)s1)C1CCS(=O)(=O)C1.
What is the InChIKey of 2-(1,1-dioxothiolan-3-yl)-N-methyl-3-(2-methyl-1,3-thiazol-5-yl)propan-1-amine?
The InChIKey is DPCNZVPLEGCXJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2S2/c1-9-14-7-12(17-9)5-11(6-13-2)10-3-4-18(15,16)8-10/h7,10-11,13H,3-6,8H2,1-2H3.
What are the key properties of 2-(1,1-dioxothiolan-3-yl)-N-methyl-3-(2-methyl-1,3-thiazol-5-yl)propan-1-amine?
2-(1,1-dioxothiolan-3-yl)-N-methyl-3-(2-methyl-1,3-thiazol-5-yl)propan-1-amine has a molecular weight of 288.44 g/mol, XLogP of 1.26, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1-dioxothiolan-3-yl)-N-methyl-3-(2-methyl-1,3-thiazol-5-yl)propan-1-amine is sourced from PubChem (CID 55143295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).