[8-methoxy-2-(2-methyl-1,3-thiazol-4-yl)-3,4-dihydro-2H-chromen-6-yl]methanamine

C15H18N2O2S — CID 126484116

IUPAC[8-methoxy-2-(2-methyl-1,3-thiazol-4-yl)-3,4-dihydro-2H-chromen-6-yl]methanamine
SMILESCOc1cc(CN)cc2c1OC(c1csc(C)n1)CC2
InChIInChI=1S/C15H18N2O2S/c1-9-17-12(8-20-9)13-4-3-11-5-10(7-16)6-14(18-2)15(11)19-13/h5-6,8,13H,3-4,7,16H2,1-2H3
InChIKeyBNGQXOPXHBOSMO-UHFFFAOYSA-N
MW290.39 g/mol
LogP2.99
Rot. Bonds3

About [8-methoxy-2-(2-methyl-1,3-thiazol-4-yl)-3,4-dihydro-2H-chromen-6-yl]methanamine

[8-methoxy-2-(2-methyl-1,3-thiazol-4-yl)-3,4-dihydro-2H-chromen-6-yl]methanamine (PubChem CID 126484116) has the molecular formula C15H18N2O2S and a molecular weight of 290.39 g/mol. Its IUPAC name is [8-methoxy-2-(2-methyl-1,3-thiazol-4-yl)-3,4-dihydro-2H-chromen-6-yl]methanamine.

Molecular Properties

Compound Name[8-methoxy-2-(2-methyl-1,3-thiazol-4-yl)-3,4-dihydro-2H-chromen-6-yl]methanamine
PubChem CID126484116
Molecular FormulaC15H18N2O2S
Molecular Weight290.39 g/mol
Exact Mass290.11
IUPAC Name[8-methoxy-2-(2-methyl-1,3-thiazol-4-yl)-3,4-dihydro-2H-chromen-6-yl]methanamine
SMILESCOc1cc(CN)cc2c1OC(c1csc(C)n1)CC2
InChIInChI=1S/C15H18N2O2S/c1-9-17-12(8-20-9)13-4-3-11-5-10(7-16)6-14(18-2)15(11)19-13/h5-6,8,13H,3-4,7,16H2,1-2H3
InChIKeyBNGQXOPXHBOSMO-UHFFFAOYSA-N
XLogP2.99
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [8-methoxy-2-(2-methyl-1,3-thiazol-4-yl)-3,4-dihydro-2H-chromen-6-yl]methanamine?
The IUPAC name of [8-methoxy-2-(2-methyl-1,3-thiazol-4-yl)-3,4-dihydro-2H-chromen-6-yl]methanamine (CID 126484116) is [8-methoxy-2-(2-methyl-1,3-thiazol-4-yl)-3,4-dihydro-2H-chromen-6-yl]methanamine.
What is the SMILES notation for [8-methoxy-2-(2-methyl-1,3-thiazol-4-yl)-3,4-dihydro-2H-chromen-6-yl]methanamine?
The canonical SMILES for [8-methoxy-2-(2-methyl-1,3-thiazol-4-yl)-3,4-dihydro-2H-chromen-6-yl]methanamine is COc1cc(CN)cc2c1OC(c1csc(C)n1)CC2.
What is the InChIKey of [8-methoxy-2-(2-methyl-1,3-thiazol-4-yl)-3,4-dihydro-2H-chromen-6-yl]methanamine?
The InChIKey is BNGQXOPXHBOSMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2S/c1-9-17-12(8-20-9)13-4-3-11-5-10(7-16)6-14(18-2)15(11)19-13/h5-6,8,13H,3-4,7,16H2,1-2H3.
What are the key properties of [8-methoxy-2-(2-methyl-1,3-thiazol-4-yl)-3,4-dihydro-2H-chromen-6-yl]methanamine?
[8-methoxy-2-(2-methyl-1,3-thiazol-4-yl)-3,4-dihydro-2H-chromen-6-yl]methanamine has a molecular weight of 290.39 g/mol, XLogP of 2.99, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [8-methoxy-2-(2-methyl-1,3-thiazol-4-yl)-3,4-dihydro-2H-chromen-6-yl]methanamine is sourced from PubChem (CID 126484116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).