1-(1,3-dioxolan-2-yl)-3-(1,2,5-thiadiazol-3-yl)propan-2-one

C8H10N2O3S — CID 131227158

IUPAC1-(1,3-dioxolan-2-yl)-3-(1,2,5-thiadiazol-3-yl)propan-2-one
SMILESO=C(Cc1cnsn1)CC1OCCO1
InChIInChI=1S/C8H10N2O3S/c11-7(3-6-5-9-14-10-6)4-8-12-1-2-13-8/h5,8H,1-4H2
InChIKeyZKKKQHNYEKTRFY-UHFFFAOYSA-N
MW214.25 g/mol
LogP0.41
Rot. Bonds4

About 1-(1,3-dioxolan-2-yl)-3-(1,2,5-thiadiazol-3-yl)propan-2-one

1-(1,3-dioxolan-2-yl)-3-(1,2,5-thiadiazol-3-yl)propan-2-one (PubChem CID 131227158) has the molecular formula C8H10N2O3S and a molecular weight of 214.25 g/mol. Its IUPAC name is 1-(1,3-dioxolan-2-yl)-3-(1,2,5-thiadiazol-3-yl)propan-2-one.

Molecular Properties

Compound Name1-(1,3-dioxolan-2-yl)-3-(1,2,5-thiadiazol-3-yl)propan-2-one
PubChem CID131227158
Molecular FormulaC8H10N2O3S
Molecular Weight214.25 g/mol
Exact Mass214.04
IUPAC Name1-(1,3-dioxolan-2-yl)-3-(1,2,5-thiadiazol-3-yl)propan-2-one
SMILESO=C(Cc1cnsn1)CC1OCCO1
InChIInChI=1S/C8H10N2O3S/c11-7(3-6-5-9-14-10-6)4-8-12-1-2-13-8/h5,8H,1-4H2
InChIKeyZKKKQHNYEKTRFY-UHFFFAOYSA-N
XLogP0.41
TPSA61.31 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.25
LogP ≤ 50.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(1,3-dioxolan-2-yl)-3-(1,2,5-thiadiazol-3-yl)propan-2-one?
The IUPAC name of 1-(1,3-dioxolan-2-yl)-3-(1,2,5-thiadiazol-3-yl)propan-2-one (CID 131227158) is 1-(1,3-dioxolan-2-yl)-3-(1,2,5-thiadiazol-3-yl)propan-2-one.
What is the SMILES notation for 1-(1,3-dioxolan-2-yl)-3-(1,2,5-thiadiazol-3-yl)propan-2-one?
The canonical SMILES for 1-(1,3-dioxolan-2-yl)-3-(1,2,5-thiadiazol-3-yl)propan-2-one is O=C(Cc1cnsn1)CC1OCCO1.
What is the InChIKey of 1-(1,3-dioxolan-2-yl)-3-(1,2,5-thiadiazol-3-yl)propan-2-one?
The InChIKey is ZKKKQHNYEKTRFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O3S/c11-7(3-6-5-9-14-10-6)4-8-12-1-2-13-8/h5,8H,1-4H2.
What are the key properties of 1-(1,3-dioxolan-2-yl)-3-(1,2,5-thiadiazol-3-yl)propan-2-one?
1-(1,3-dioxolan-2-yl)-3-(1,2,5-thiadiazol-3-yl)propan-2-one has a molecular weight of 214.25 g/mol, XLogP of 0.41, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-dioxolan-2-yl)-3-(1,2,5-thiadiazol-3-yl)propan-2-one is sourced from PubChem (CID 131227158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).