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

C10H16N2O2S2 — CID 65020507

IUPAC1-(1,1-dioxothiolan-3-yl)-2-(2-methyl-1,3-thiazol-5-yl)ethanamine
SMILESCc1ncc(CC(N)C2CCS(=O)(=O)C2)s1
InChIInChI=1S/C10H16N2O2S2/c1-7-12-5-9(15-7)4-10(11)8-2-3-16(13,14)6-8/h5,8,10H,2-4,6,11H2,1H3
InChIKeySDGCXDKHNDEMMB-UHFFFAOYSA-N
MW260.38 g/mol
LogP0.76
Rot. Bonds3

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

1-(1,1-dioxothiolan-3-yl)-2-(2-methyl-1,3-thiazol-5-yl)ethanamine (PubChem CID 65020507) has the molecular formula C10H16N2O2S2 and a molecular weight of 260.38 g/mol. Its IUPAC name is 1-(1,1-dioxothiolan-3-yl)-2-(2-methyl-1,3-thiazol-5-yl)ethanamine.

Molecular Properties

Compound Name1-(1,1-dioxothiolan-3-yl)-2-(2-methyl-1,3-thiazol-5-yl)ethanamine
PubChem CID65020507
Molecular FormulaC10H16N2O2S2
Molecular Weight260.38 g/mol
Exact Mass260.07
IUPAC Name1-(1,1-dioxothiolan-3-yl)-2-(2-methyl-1,3-thiazol-5-yl)ethanamine
SMILESCc1ncc(CC(N)C2CCS(=O)(=O)C2)s1
InChIInChI=1S/C10H16N2O2S2/c1-7-12-5-9(15-7)4-10(11)8-2-3-16(13,14)6-8/h5,8,10H,2-4,6,11H2,1H3
InChIKeySDGCXDKHNDEMMB-UHFFFAOYSA-N
XLogP0.76
TPSA73.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(1,1-dioxothiolan-3-yl)-2-(2-methyl-1,3-thiazol-5-yl)ethanamine?
The IUPAC name of 1-(1,1-dioxothiolan-3-yl)-2-(2-methyl-1,3-thiazol-5-yl)ethanamine (CID 65020507) is 1-(1,1-dioxothiolan-3-yl)-2-(2-methyl-1,3-thiazol-5-yl)ethanamine.
What is the SMILES notation for 1-(1,1-dioxothiolan-3-yl)-2-(2-methyl-1,3-thiazol-5-yl)ethanamine?
The canonical SMILES for 1-(1,1-dioxothiolan-3-yl)-2-(2-methyl-1,3-thiazol-5-yl)ethanamine is Cc1ncc(CC(N)C2CCS(=O)(=O)C2)s1.
What is the InChIKey of 1-(1,1-dioxothiolan-3-yl)-2-(2-methyl-1,3-thiazol-5-yl)ethanamine?
The InChIKey is SDGCXDKHNDEMMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2S2/c1-7-12-5-9(15-7)4-10(11)8-2-3-16(13,14)6-8/h5,8,10H,2-4,6,11H2,1H3.
What are the key properties of 1-(1,1-dioxothiolan-3-yl)-2-(2-methyl-1,3-thiazol-5-yl)ethanamine?
1-(1,1-dioxothiolan-3-yl)-2-(2-methyl-1,3-thiazol-5-yl)ethanamine has a molecular weight of 260.38 g/mol, XLogP of 0.76, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,1-dioxothiolan-3-yl)-2-(2-methyl-1,3-thiazol-5-yl)ethanamine is sourced from PubChem (CID 65020507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).