N-[(3-methoxy-4-prop-2-enoxyphenyl)methyl]-1,3-thiazol-2-amine

C14H16N2O2S — CID 2215630

IUPACN-[(3-methoxy-4-prop-2-enoxyphenyl)methyl]-1,3-thiazol-2-amine
SMILESC=CCOc1ccc(CNc2nccs2)cc1OC
InChIInChI=1S/C14H16N2O2S/c1-3-7-18-12-5-4-11(9-13(12)17-2)10-16-14-15-6-8-19-14/h3-6,8-9H,1,7,10H2,2H3,(H,15,16)
InChIKeyDGKQEOASFWXLIR-UHFFFAOYSA-N
MW276.36 g/mol
LogP3.33
Rot. Bonds7

About N-[(3-methoxy-4-prop-2-enoxyphenyl)methyl]-1,3-thiazol-2-amine

N-[(3-methoxy-4-prop-2-enoxyphenyl)methyl]-1,3-thiazol-2-amine (PubChem CID 2215630) has the molecular formula C14H16N2O2S and a molecular weight of 276.36 g/mol. Its IUPAC name is N-[(3-methoxy-4-prop-2-enoxyphenyl)methyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[(3-methoxy-4-prop-2-enoxyphenyl)methyl]-1,3-thiazol-2-amine
PubChem CID2215630
Molecular FormulaC14H16N2O2S
Molecular Weight276.36 g/mol
Exact Mass276.09
IUPAC NameN-[(3-methoxy-4-prop-2-enoxyphenyl)methyl]-1,3-thiazol-2-amine
SMILESC=CCOc1ccc(CNc2nccs2)cc1OC
InChIInChI=1S/C14H16N2O2S/c1-3-7-18-12-5-4-11(9-13(12)17-2)10-16-14-15-6-8-19-14/h3-6,8-9H,1,7,10H2,2H3,(H,15,16)
InChIKeyDGKQEOASFWXLIR-UHFFFAOYSA-N
XLogP3.33
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.36
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(3-methoxy-4-prop-2-enoxyphenyl)methyl]-1,3-thiazol-2-amine?
The IUPAC name of N-[(3-methoxy-4-prop-2-enoxyphenyl)methyl]-1,3-thiazol-2-amine (CID 2215630) is N-[(3-methoxy-4-prop-2-enoxyphenyl)methyl]-1,3-thiazol-2-amine.
What is the SMILES notation for N-[(3-methoxy-4-prop-2-enoxyphenyl)methyl]-1,3-thiazol-2-amine?
The canonical SMILES for N-[(3-methoxy-4-prop-2-enoxyphenyl)methyl]-1,3-thiazol-2-amine is C=CCOc1ccc(CNc2nccs2)cc1OC.
What is the InChIKey of N-[(3-methoxy-4-prop-2-enoxyphenyl)methyl]-1,3-thiazol-2-amine?
The InChIKey is DGKQEOASFWXLIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2S/c1-3-7-18-12-5-4-11(9-13(12)17-2)10-16-14-15-6-8-19-14/h3-6,8-9H,1,7,10H2,2H3,(H,15,16).
What are the key properties of N-[(3-methoxy-4-prop-2-enoxyphenyl)methyl]-1,3-thiazol-2-amine?
N-[(3-methoxy-4-prop-2-enoxyphenyl)methyl]-1,3-thiazol-2-amine has a molecular weight of 276.36 g/mol, XLogP of 3.33, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methoxy-4-prop-2-enoxyphenyl)methyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 2215630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).