1,1-dioxo-N-propyl-3-(1,3-thiazol-2-yl)thiolan-3-amine

C10H16N2O2S2 — CID 63166254

IUPAC1,1-dioxo-N-propyl-3-(1,3-thiazol-2-yl)thiolan-3-amine
SMILESCCCNC1(c2nccs2)CCS(=O)(=O)C1
InChIInChI=1S/C10H16N2O2S2/c1-2-4-12-10(9-11-5-6-15-9)3-7-16(13,14)8-10/h5-6,12H,2-4,7-8H2,1H3
InChIKeyBUYOREYMBGRULX-UHFFFAOYSA-N
MW260.38 g/mol
LogP1.16
Rot. Bonds4

About 1,1-dioxo-N-propyl-3-(1,3-thiazol-2-yl)thiolan-3-amine

1,1-dioxo-N-propyl-3-(1,3-thiazol-2-yl)thiolan-3-amine (PubChem CID 63166254) has the molecular formula C10H16N2O2S2 and a molecular weight of 260.38 g/mol. Its IUPAC name is 1,1-dioxo-N-propyl-3-(1,3-thiazol-2-yl)thiolan-3-amine.

Molecular Properties

Compound Name1,1-dioxo-N-propyl-3-(1,3-thiazol-2-yl)thiolan-3-amine
PubChem CID63166254
Molecular FormulaC10H16N2O2S2
Molecular Weight260.38 g/mol
Exact Mass260.07
IUPAC Name1,1-dioxo-N-propyl-3-(1,3-thiazol-2-yl)thiolan-3-amine
SMILESCCCNC1(c2nccs2)CCS(=O)(=O)C1
InChIInChI=1S/C10H16N2O2S2/c1-2-4-12-10(9-11-5-6-15-9)3-7-16(13,14)8-10/h5-6,12H,2-4,7-8H2,1H3
InChIKeyBUYOREYMBGRULX-UHFFFAOYSA-N
XLogP1.16
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 51.16
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-propyl-3-(1,3-thiazol-2-yl)thiolan-3-amine?
The IUPAC name of 1,1-dioxo-N-propyl-3-(1,3-thiazol-2-yl)thiolan-3-amine (CID 63166254) is 1,1-dioxo-N-propyl-3-(1,3-thiazol-2-yl)thiolan-3-amine.
What is the SMILES notation for 1,1-dioxo-N-propyl-3-(1,3-thiazol-2-yl)thiolan-3-amine?
The canonical SMILES for 1,1-dioxo-N-propyl-3-(1,3-thiazol-2-yl)thiolan-3-amine is CCCNC1(c2nccs2)CCS(=O)(=O)C1.
What is the InChIKey of 1,1-dioxo-N-propyl-3-(1,3-thiazol-2-yl)thiolan-3-amine?
The InChIKey is BUYOREYMBGRULX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2S2/c1-2-4-12-10(9-11-5-6-15-9)3-7-16(13,14)8-10/h5-6,12H,2-4,7-8H2,1H3.
What are the key properties of 1,1-dioxo-N-propyl-3-(1,3-thiazol-2-yl)thiolan-3-amine?
1,1-dioxo-N-propyl-3-(1,3-thiazol-2-yl)thiolan-3-amine has a molecular weight of 260.38 g/mol, XLogP of 1.16, 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-propyl-3-(1,3-thiazol-2-yl)thiolan-3-amine is sourced from PubChem (CID 63166254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).