N-[(3-methoxyoxolan-3-yl)methyl]-1,3,4-thiadiazol-2-amine

C8H13N3O2S — CID 104762650

IUPACN-[(3-methoxyoxolan-3-yl)methyl]-1,3,4-thiadiazol-2-amine
SMILESCOC1(CNc2nncs2)CCOC1
InChIInChI=1S/C8H13N3O2S/c1-12-8(2-3-13-5-8)4-9-7-11-10-6-14-7/h6H,2-5H2,1H3,(H,9,11)
InChIKeyUSQRDFLUCIOSPT-UHFFFAOYSA-N
MW215.28 g/mol
LogP0.76
Rot. Bonds4

About N-[(3-methoxyoxolan-3-yl)methyl]-1,3,4-thiadiazol-2-amine

N-[(3-methoxyoxolan-3-yl)methyl]-1,3,4-thiadiazol-2-amine (PubChem CID 104762650) has the molecular formula C8H13N3O2S and a molecular weight of 215.28 g/mol. Its IUPAC name is N-[(3-methoxyoxolan-3-yl)methyl]-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-[(3-methoxyoxolan-3-yl)methyl]-1,3,4-thiadiazol-2-amine
PubChem CID104762650
Molecular FormulaC8H13N3O2S
Molecular Weight215.28 g/mol
Exact Mass215.07
IUPAC NameN-[(3-methoxyoxolan-3-yl)methyl]-1,3,4-thiadiazol-2-amine
SMILESCOC1(CNc2nncs2)CCOC1
InChIInChI=1S/C8H13N3O2S/c1-12-8(2-3-13-5-8)4-9-7-11-10-6-14-7/h6H,2-5H2,1H3,(H,9,11)
InChIKeyUSQRDFLUCIOSPT-UHFFFAOYSA-N
XLogP0.76
TPSA56.27 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 ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(3-methoxyoxolan-3-yl)methyl]-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-[(3-methoxyoxolan-3-yl)methyl]-1,3,4-thiadiazol-2-amine (CID 104762650) is N-[(3-methoxyoxolan-3-yl)methyl]-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-[(3-methoxyoxolan-3-yl)methyl]-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-[(3-methoxyoxolan-3-yl)methyl]-1,3,4-thiadiazol-2-amine is COC1(CNc2nncs2)CCOC1.
What is the InChIKey of N-[(3-methoxyoxolan-3-yl)methyl]-1,3,4-thiadiazol-2-amine?
The InChIKey is USQRDFLUCIOSPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O2S/c1-12-8(2-3-13-5-8)4-9-7-11-10-6-14-7/h6H,2-5H2,1H3,(H,9,11).
What are the key properties of N-[(3-methoxyoxolan-3-yl)methyl]-1,3,4-thiadiazol-2-amine?
N-[(3-methoxyoxolan-3-yl)methyl]-1,3,4-thiadiazol-2-amine has a molecular weight of 215.28 g/mol, XLogP of 0.76, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methoxyoxolan-3-yl)methyl]-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 104762650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).