5-[(E)-2-(6-methoxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl)ethenyl]-1,3-thiazol-2-amine

C13H18N2O4S — CID 5384459

IUPAC5-[(E)-2-(6-methoxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl)ethenyl]-1,3-thiazol-2-amine
SMILESCOC1C(/C=C/c2cnc(N)s2)OC2OC(C)(C)OC21
InChIInChI=1S/C13H18N2O4S/c1-13(2)18-10-9(16-3)8(17-11(10)19-13)5-4-7-6-15-12(14)20-7/h4-6,8-11H,1-3H3,(H2,14,15)/b5-4+
InChIKeyDNLFYIGIQTXZOA-SNAWJCMRSA-N
MW298.36 g/mol
LogP1.63
Rot. Bonds3

About 5-[(E)-2-(6-methoxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl)ethenyl]-1,3-thiazol-2-amine

5-[(E)-2-(6-methoxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl)ethenyl]-1,3-thiazol-2-amine (PubChem CID 5384459) has the molecular formula C13H18N2O4S and a molecular weight of 298.36 g/mol. Its IUPAC name is 5-[(E)-2-(6-methoxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl)ethenyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-[(E)-2-(6-methoxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl)ethenyl]-1,3-thiazol-2-amine
PubChem CID5384459
Molecular FormulaC13H18N2O4S
Molecular Weight298.36 g/mol
Exact Mass298.10
IUPAC Name5-[(E)-2-(6-methoxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl)ethenyl]-1,3-thiazol-2-amine
SMILESCOC1C(/C=C/c2cnc(N)s2)OC2OC(C)(C)OC21
InChIInChI=1S/C13H18N2O4S/c1-13(2)18-10-9(16-3)8(17-11(10)19-13)5-4-7-6-15-12(14)20-7/h4-6,8-11H,1-3H3,(H2,14,15)/b5-4+
InChIKeyDNLFYIGIQTXZOA-SNAWJCMRSA-N
XLogP1.63
TPSA75.83 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.36
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 5-[(E)-2-(6-methoxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl)ethenyl]-1,3-thiazol-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[(E)-2-(6-methoxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl)ethenyl]-1,3-thiazol-2-amine?
The IUPAC name of 5-[(E)-2-(6-methoxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl)ethenyl]-1,3-thiazol-2-amine (CID 5384459) is 5-[(E)-2-(6-methoxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl)ethenyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 5-[(E)-2-(6-methoxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl)ethenyl]-1,3-thiazol-2-amine?
The canonical SMILES for 5-[(E)-2-(6-methoxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl)ethenyl]-1,3-thiazol-2-amine is COC1C(/C=C/c2cnc(N)s2)OC2OC(C)(C)OC21.
What is the InChIKey of 5-[(E)-2-(6-methoxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl)ethenyl]-1,3-thiazol-2-amine?
The InChIKey is DNLFYIGIQTXZOA-SNAWJCMRSA-N. The full InChI is InChI=1S/C13H18N2O4S/c1-13(2)18-10-9(16-3)8(17-11(10)19-13)5-4-7-6-15-12(14)20-7/h4-6,8-11H,1-3H3,(H2,14,15)/b5-4+.
What are the key properties of 5-[(E)-2-(6-methoxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl)ethenyl]-1,3-thiazol-2-amine?
5-[(E)-2-(6-methoxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl)ethenyl]-1,3-thiazol-2-amine has a molecular weight of 298.36 g/mol, XLogP of 1.63, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(E)-2-(6-methoxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl)ethenyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 5384459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).