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

C13H22N2O2S2 — CID 63019266

IUPAC2-(1,1-dioxothiolan-3-yl)-N-ethyl-3-(2-methyl-1,3-thiazol-5-yl)propan-1-amine
SMILESCCNCC(Cc1cnc(C)s1)C1CCS(=O)(=O)C1
InChIInChI=1S/C13H22N2O2S2/c1-3-14-7-12(6-13-8-15-10(2)18-13)11-4-5-19(16,17)9-11/h8,11-12,14H,3-7,9H2,1-2H3
InChIKeyAGPZEYSBUPJOLE-UHFFFAOYSA-N
MW302.46 g/mol
LogP1.65
Rot. Bonds6

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

2-(1,1-dioxothiolan-3-yl)-N-ethyl-3-(2-methyl-1,3-thiazol-5-yl)propan-1-amine (PubChem CID 63019266) has the molecular formula C13H22N2O2S2 and a molecular weight of 302.46 g/mol. Its IUPAC name is 2-(1,1-dioxothiolan-3-yl)-N-ethyl-3-(2-methyl-1,3-thiazol-5-yl)propan-1-amine.

Molecular Properties

Compound Name2-(1,1-dioxothiolan-3-yl)-N-ethyl-3-(2-methyl-1,3-thiazol-5-yl)propan-1-amine
PubChem CID63019266
Molecular FormulaC13H22N2O2S2
Molecular Weight302.46 g/mol
Exact Mass302.11
IUPAC Name2-(1,1-dioxothiolan-3-yl)-N-ethyl-3-(2-methyl-1,3-thiazol-5-yl)propan-1-amine
SMILESCCNCC(Cc1cnc(C)s1)C1CCS(=O)(=O)C1
InChIInChI=1S/C13H22N2O2S2/c1-3-14-7-12(6-13-8-15-10(2)18-13)11-4-5-19(16,17)9-11/h8,11-12,14H,3-7,9H2,1-2H3
InChIKeyAGPZEYSBUPJOLE-UHFFFAOYSA-N
XLogP1.65
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.46
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(1,1-dioxothiolan-3-yl)-N-ethyl-3-(2-methyl-1,3-thiazol-5-yl)propan-1-amine?
The IUPAC name of 2-(1,1-dioxothiolan-3-yl)-N-ethyl-3-(2-methyl-1,3-thiazol-5-yl)propan-1-amine (CID 63019266) is 2-(1,1-dioxothiolan-3-yl)-N-ethyl-3-(2-methyl-1,3-thiazol-5-yl)propan-1-amine.
What is the SMILES notation for 2-(1,1-dioxothiolan-3-yl)-N-ethyl-3-(2-methyl-1,3-thiazol-5-yl)propan-1-amine?
The canonical SMILES for 2-(1,1-dioxothiolan-3-yl)-N-ethyl-3-(2-methyl-1,3-thiazol-5-yl)propan-1-amine is CCNCC(Cc1cnc(C)s1)C1CCS(=O)(=O)C1.
What is the InChIKey of 2-(1,1-dioxothiolan-3-yl)-N-ethyl-3-(2-methyl-1,3-thiazol-5-yl)propan-1-amine?
The InChIKey is AGPZEYSBUPJOLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2S2/c1-3-14-7-12(6-13-8-15-10(2)18-13)11-4-5-19(16,17)9-11/h8,11-12,14H,3-7,9H2,1-2H3.
What are the key properties of 2-(1,1-dioxothiolan-3-yl)-N-ethyl-3-(2-methyl-1,3-thiazol-5-yl)propan-1-amine?
2-(1,1-dioxothiolan-3-yl)-N-ethyl-3-(2-methyl-1,3-thiazol-5-yl)propan-1-amine has a molecular weight of 302.46 g/mol, XLogP of 1.65, 6 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-ethyl-3-(2-methyl-1,3-thiazol-5-yl)propan-1-amine is sourced from PubChem (CID 63019266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).