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

C8H13N3O2S — CID 131227529

IUPAC1-(1,3-dioxolan-2-yl)-3-(1,2,5-thiadiazol-3-yl)propan-2-amine
SMILESNC(Cc1cnsn1)CC1OCCO1
InChIInChI=1S/C8H13N3O2S/c9-6(3-7-5-10-14-11-7)4-8-12-1-2-13-8/h5-6,8H,1-4,9H2
InChIKeyVJBUOQWAJMUWJP-UHFFFAOYSA-N
MW215.28 g/mol
LogP0.17
Rot. Bonds4

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

1-(1,3-dioxolan-2-yl)-3-(1,2,5-thiadiazol-3-yl)propan-2-amine (PubChem CID 131227529) has the molecular formula C8H13N3O2S and a molecular weight of 215.28 g/mol. Its IUPAC name is 1-(1,3-dioxolan-2-yl)-3-(1,2,5-thiadiazol-3-yl)propan-2-amine.

Molecular Properties

Compound Name1-(1,3-dioxolan-2-yl)-3-(1,2,5-thiadiazol-3-yl)propan-2-amine
PubChem CID131227529
Molecular FormulaC8H13N3O2S
Molecular Weight215.28 g/mol
Exact Mass215.07
IUPAC Name1-(1,3-dioxolan-2-yl)-3-(1,2,5-thiadiazol-3-yl)propan-2-amine
SMILESNC(Cc1cnsn1)CC1OCCO1
InChIInChI=1S/C8H13N3O2S/c9-6(3-7-5-10-14-11-7)4-8-12-1-2-13-8/h5-6,8H,1-4,9H2
InChIKeyVJBUOQWAJMUWJP-UHFFFAOYSA-N
XLogP0.17
TPSA70.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.28
LogP ≤ 50.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(1,3-dioxolan-2-yl)-3-(1,2,5-thiadiazol-3-yl)propan-2-one
CID 131227158
1-(5-bromo-3-pyridinyl)-3-(1,3-dioxolan-2-yl)propan-2-amine
CID 103544159
1-(5-methyloxolan-2-yl)-2-(1,2,5-thiadiazol-3-yl)ethanamine
CID 131219612
2-hydroxy-3-(1,2,5-thiadiazol-3-yl)propanal
CID 130815190
1-(1,3-dioxolan-2-yl)-4-(1-methylpyrazol-4-yl)butan-2-amine
CID 103544205
1-(1,3-dioxolan-2-yl)-3-(2-fluorophenyl)propan-2-amine
CID 103543902
1-(1,3-dioxolan-2-yl)-3-(2-ethyl-1,2,4-triazol-3-yl)propan-2-amine
CID 103544076
2-(1,2,5-thiadiazol-3-yl)-1-(thiolan-3-yl)ethanol
CID 130815238
1-cyclohex-3-en-1-yl-2-(1,2,5-thiadiazol-3-yl)ethanol
CID 130815266
N-methyl-1-(1,2,5-thiadiazol-3-yl)butan-2-amine
CID 131227008
5-(1,2,5-thiadiazol-3-yl)pentan-2-amine
CID 131227051
1-cyclobutyl-2-(1,3-dioxolan-2-yl)ethanamine
CID 103544185

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-dioxolan-2-yl)-3-(1,2,5-thiadiazol-3-yl)propan-2-amine?
The IUPAC name of 1-(1,3-dioxolan-2-yl)-3-(1,2,5-thiadiazol-3-yl)propan-2-amine (CID 131227529) is 1-(1,3-dioxolan-2-yl)-3-(1,2,5-thiadiazol-3-yl)propan-2-amine.
What is the SMILES notation for 1-(1,3-dioxolan-2-yl)-3-(1,2,5-thiadiazol-3-yl)propan-2-amine?
The canonical SMILES for 1-(1,3-dioxolan-2-yl)-3-(1,2,5-thiadiazol-3-yl)propan-2-amine is NC(Cc1cnsn1)CC1OCCO1.
What is the InChIKey of 1-(1,3-dioxolan-2-yl)-3-(1,2,5-thiadiazol-3-yl)propan-2-amine?
The InChIKey is VJBUOQWAJMUWJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O2S/c9-6(3-7-5-10-14-11-7)4-8-12-1-2-13-8/h5-6,8H,1-4,9H2.
What are the key properties of 1-(1,3-dioxolan-2-yl)-3-(1,2,5-thiadiazol-3-yl)propan-2-amine?
1-(1,3-dioxolan-2-yl)-3-(1,2,5-thiadiazol-3-yl)propan-2-amine has a molecular weight of 215.28 g/mol, XLogP of 0.17, 4 rotatable bonds, 1 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-amine is sourced from PubChem (CID 131227529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).