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

C11H18N2O2S2 — CID 63019083

IUPAC2-(1,1-dioxothiolan-3-yl)-3-(2-methyl-1,3-thiazol-5-yl)propan-1-amine
SMILESCc1ncc(CC(CN)C2CCS(=O)(=O)C2)s1
InChIInChI=1S/C11H18N2O2S2/c1-8-13-6-11(16-8)4-10(5-12)9-2-3-17(14,15)7-9/h6,9-10H,2-5,7,12H2,1H3
InChIKeyLSTAGLQBMATXFL-UHFFFAOYSA-N
MW274.41 g/mol
LogP1.00
Rot. Bonds4

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

2-(1,1-dioxothiolan-3-yl)-3-(2-methyl-1,3-thiazol-5-yl)propan-1-amine (PubChem CID 63019083) has the molecular formula C11H18N2O2S2 and a molecular weight of 274.41 g/mol. Its IUPAC name is 2-(1,1-dioxothiolan-3-yl)-3-(2-methyl-1,3-thiazol-5-yl)propan-1-amine.

Molecular Properties

Compound Name2-(1,1-dioxothiolan-3-yl)-3-(2-methyl-1,3-thiazol-5-yl)propan-1-amine
PubChem CID63019083
Molecular FormulaC11H18N2O2S2
Molecular Weight274.41 g/mol
Exact Mass274.08
IUPAC Name2-(1,1-dioxothiolan-3-yl)-3-(2-methyl-1,3-thiazol-5-yl)propan-1-amine
SMILESCc1ncc(CC(CN)C2CCS(=O)(=O)C2)s1
InChIInChI=1S/C11H18N2O2S2/c1-8-13-6-11(16-8)4-10(5-12)9-2-3-17(14,15)7-9/h6,9-10H,2-5,7,12H2,1H3
InChIKeyLSTAGLQBMATXFL-UHFFFAOYSA-N
XLogP1.00
TPSA73.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 51.00
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)-3-(2-methyl-1,3-thiazol-5-yl)propan-1-amine?
The IUPAC name of 2-(1,1-dioxothiolan-3-yl)-3-(2-methyl-1,3-thiazol-5-yl)propan-1-amine (CID 63019083) is 2-(1,1-dioxothiolan-3-yl)-3-(2-methyl-1,3-thiazol-5-yl)propan-1-amine.
What is the SMILES notation for 2-(1,1-dioxothiolan-3-yl)-3-(2-methyl-1,3-thiazol-5-yl)propan-1-amine?
The canonical SMILES for 2-(1,1-dioxothiolan-3-yl)-3-(2-methyl-1,3-thiazol-5-yl)propan-1-amine is Cc1ncc(CC(CN)C2CCS(=O)(=O)C2)s1.
What is the InChIKey of 2-(1,1-dioxothiolan-3-yl)-3-(2-methyl-1,3-thiazol-5-yl)propan-1-amine?
The InChIKey is LSTAGLQBMATXFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2S2/c1-8-13-6-11(16-8)4-10(5-12)9-2-3-17(14,15)7-9/h6,9-10H,2-5,7,12H2,1H3.
What are the key properties of 2-(1,1-dioxothiolan-3-yl)-3-(2-methyl-1,3-thiazol-5-yl)propan-1-amine?
2-(1,1-dioxothiolan-3-yl)-3-(2-methyl-1,3-thiazol-5-yl)propan-1-amine has a molecular weight of 274.41 g/mol, XLogP of 1.00, 4 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)-3-(2-methyl-1,3-thiazol-5-yl)propan-1-amine is sourced from PubChem (CID 63019083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).