2-[4-(3,6-dihydro-2H-pyran-4-yl)-3-methoxyphenyl]-1,3-thiazol-4-amine

C15H16N2O2S — CID 146366341

IUPAC2-[4-(3,6-dihydro-2H-pyran-4-yl)-3-methoxyphenyl]-1,3-thiazol-4-amine
SMILESCOc1cc(-c2nc(N)cs2)ccc1C1=CCOCC1
InChIInChI=1S/C15H16N2O2S/c1-18-13-8-11(15-17-14(16)9-20-15)2-3-12(13)10-4-6-19-7-5-10/h2-4,8-9H,5-7,16H2,1H3
InChIKeyXTGOXDDFMONFMH-UHFFFAOYSA-N
MW288.37 g/mol
LogP3.20
Rot. Bonds3

About 2-[4-(3,6-dihydro-2H-pyran-4-yl)-3-methoxyphenyl]-1,3-thiazol-4-amine

2-[4-(3,6-dihydro-2H-pyran-4-yl)-3-methoxyphenyl]-1,3-thiazol-4-amine (PubChem CID 146366341) has the molecular formula C15H16N2O2S and a molecular weight of 288.37 g/mol. Its IUPAC name is 2-[4-(3,6-dihydro-2H-pyran-4-yl)-3-methoxyphenyl]-1,3-thiazol-4-amine.

Molecular Properties

Compound Name2-[4-(3,6-dihydro-2H-pyran-4-yl)-3-methoxyphenyl]-1,3-thiazol-4-amine
PubChem CID146366341
Molecular FormulaC15H16N2O2S
Molecular Weight288.37 g/mol
Exact Mass288.09
IUPAC Name2-[4-(3,6-dihydro-2H-pyran-4-yl)-3-methoxyphenyl]-1,3-thiazol-4-amine
SMILESCOc1cc(-c2nc(N)cs2)ccc1C1=CCOCC1
InChIInChI=1S/C15H16N2O2S/c1-18-13-8-11(15-17-14(16)9-20-15)2-3-12(13)10-4-6-19-7-5-10/h2-4,8-9H,5-7,16H2,1H3
InChIKeyXTGOXDDFMONFMH-UHFFFAOYSA-N
XLogP3.20
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.37
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(3,6-dihydro-2H-pyran-4-yl)-3-methoxyphenyl]-1,3-thiazol-4-amine?
The IUPAC name of 2-[4-(3,6-dihydro-2H-pyran-4-yl)-3-methoxyphenyl]-1,3-thiazol-4-amine (CID 146366341) is 2-[4-(3,6-dihydro-2H-pyran-4-yl)-3-methoxyphenyl]-1,3-thiazol-4-amine.
What is the SMILES notation for 2-[4-(3,6-dihydro-2H-pyran-4-yl)-3-methoxyphenyl]-1,3-thiazol-4-amine?
The canonical SMILES for 2-[4-(3,6-dihydro-2H-pyran-4-yl)-3-methoxyphenyl]-1,3-thiazol-4-amine is COc1cc(-c2nc(N)cs2)ccc1C1=CCOCC1.
What is the InChIKey of 2-[4-(3,6-dihydro-2H-pyran-4-yl)-3-methoxyphenyl]-1,3-thiazol-4-amine?
The InChIKey is XTGOXDDFMONFMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2S/c1-18-13-8-11(15-17-14(16)9-20-15)2-3-12(13)10-4-6-19-7-5-10/h2-4,8-9H,5-7,16H2,1H3.
What are the key properties of 2-[4-(3,6-dihydro-2H-pyran-4-yl)-3-methoxyphenyl]-1,3-thiazol-4-amine?
2-[4-(3,6-dihydro-2H-pyran-4-yl)-3-methoxyphenyl]-1,3-thiazol-4-amine has a molecular weight of 288.37 g/mol, XLogP of 3.20, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3,6-dihydro-2H-pyran-4-yl)-3-methoxyphenyl]-1,3-thiazol-4-amine is sourced from PubChem (CID 146366341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).