1,1-dioxo-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]thiolan-3-amine

C14H16N2O2S2 — CID 62900326

IUPAC1,1-dioxo-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]thiolan-3-amine
SMILESO=S1(=O)CCC(NCc2nc(-c3ccccc3)cs2)C1
InChIInChI=1S/C14H16N2O2S2/c17-20(18)7-6-12(10-20)15-8-14-16-13(9-19-14)11-4-2-1-3-5-11/h1-5,9,12,15H,6-8,10H2
InChIKeyYWBRHURRDVYGOS-UHFFFAOYSA-N
MW308.43 g/mol
LogP2.09
Rot. Bonds4

About 1,1-dioxo-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]thiolan-3-amine

1,1-dioxo-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]thiolan-3-amine (PubChem CID 62900326) has the molecular formula C14H16N2O2S2 and a molecular weight of 308.43 g/mol. Its IUPAC name is 1,1-dioxo-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]thiolan-3-amine.

Molecular Properties

Compound Name1,1-dioxo-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]thiolan-3-amine
PubChem CID62900326
Molecular FormulaC14H16N2O2S2
Molecular Weight308.43 g/mol
Exact Mass308.07
IUPAC Name1,1-dioxo-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]thiolan-3-amine
SMILESO=S1(=O)CCC(NCc2nc(-c3ccccc3)cs2)C1
InChIInChI=1S/C14H16N2O2S2/c17-20(18)7-6-12(10-20)15-8-14-16-13(9-19-14)11-4-2-1-3-5-11/h1-5,9,12,15H,6-8,10H2
InChIKeyYWBRHURRDVYGOS-UHFFFAOYSA-N
XLogP2.09
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.43
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1,1-dioxo-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]thiolan-3-amine?
The IUPAC name of 1,1-dioxo-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]thiolan-3-amine (CID 62900326) is 1,1-dioxo-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]thiolan-3-amine.
What is the SMILES notation for 1,1-dioxo-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]thiolan-3-amine?
The canonical SMILES for 1,1-dioxo-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]thiolan-3-amine is O=S1(=O)CCC(NCc2nc(-c3ccccc3)cs2)C1.
What is the InChIKey of 1,1-dioxo-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]thiolan-3-amine?
The InChIKey is YWBRHURRDVYGOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2S2/c17-20(18)7-6-12(10-20)15-8-14-16-13(9-19-14)11-4-2-1-3-5-11/h1-5,9,12,15H,6-8,10H2.
What are the key properties of 1,1-dioxo-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]thiolan-3-amine?
1,1-dioxo-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]thiolan-3-amine has a molecular weight of 308.43 g/mol, XLogP of 2.09, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dioxo-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]thiolan-3-amine is sourced from PubChem (CID 62900326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).