(3-methoxyoxolan-3-yl)-(1,2-thiazol-3-yl)methanamine

C9H14N2O2S — CID 130802930

IUPAC(3-methoxyoxolan-3-yl)-(1,2-thiazol-3-yl)methanamine
SMILESCOC1(C(N)c2ccsn2)CCOC1
InChIInChI=1S/C9H14N2O2S/c1-12-9(3-4-13-6-9)8(10)7-2-5-14-11-7/h2,5,8H,3-4,6,10H2,1H3
InChIKeyWXUZEYMGJJLHOP-UHFFFAOYSA-N
MW214.29 g/mol
LogP0.95
Rot. Bonds3

About (3-methoxyoxolan-3-yl)-(1,2-thiazol-3-yl)methanamine

(3-methoxyoxolan-3-yl)-(1,2-thiazol-3-yl)methanamine (PubChem CID 130802930) has the molecular formula C9H14N2O2S and a molecular weight of 214.29 g/mol. Its IUPAC name is (3-methoxyoxolan-3-yl)-(1,2-thiazol-3-yl)methanamine.

Molecular Properties

Compound Name(3-methoxyoxolan-3-yl)-(1,2-thiazol-3-yl)methanamine
PubChem CID130802930
Molecular FormulaC9H14N2O2S
Molecular Weight214.29 g/mol
Exact Mass214.08
IUPAC Name(3-methoxyoxolan-3-yl)-(1,2-thiazol-3-yl)methanamine
SMILESCOC1(C(N)c2ccsn2)CCOC1
InChIInChI=1S/C9H14N2O2S/c1-12-9(3-4-13-6-9)8(10)7-2-5-14-11-7/h2,5,8H,3-4,6,10H2,1H3
InChIKeyWXUZEYMGJJLHOP-UHFFFAOYSA-N
XLogP0.95
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.29
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3-methoxyoxolan-3-yl)-(1,2-thiazol-3-yl)methanamine?
The IUPAC name of (3-methoxyoxolan-3-yl)-(1,2-thiazol-3-yl)methanamine (CID 130802930) is (3-methoxyoxolan-3-yl)-(1,2-thiazol-3-yl)methanamine.
What is the SMILES notation for (3-methoxyoxolan-3-yl)-(1,2-thiazol-3-yl)methanamine?
The canonical SMILES for (3-methoxyoxolan-3-yl)-(1,2-thiazol-3-yl)methanamine is COC1(C(N)c2ccsn2)CCOC1.
What is the InChIKey of (3-methoxyoxolan-3-yl)-(1,2-thiazol-3-yl)methanamine?
The InChIKey is WXUZEYMGJJLHOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2S/c1-12-9(3-4-13-6-9)8(10)7-2-5-14-11-7/h2,5,8H,3-4,6,10H2,1H3.
What are the key properties of (3-methoxyoxolan-3-yl)-(1,2-thiazol-3-yl)methanamine?
(3-methoxyoxolan-3-yl)-(1,2-thiazol-3-yl)methanamine has a molecular weight of 214.29 g/mol, XLogP of 0.95, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methoxyoxolan-3-yl)-(1,2-thiazol-3-yl)methanamine is sourced from PubChem (CID 130802930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).