2-[(4-methoxyphenoxy)methyl]-4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazole

C25H29NO2S — CID 2742591

IUPAC2-[(4-methoxyphenoxy)methyl]-4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazole
SMILESCOc1ccc(OCc2nc(-c3ccc4c(c3)C(C)(C)CCC4(C)C)cs2)cc1
InChIInChI=1S/C25H29NO2S/c1-24(2)12-13-25(3,4)21-14-17(6-11-20(21)24)22-16-29-23(26-22)15-28-19-9-7-18(27-5)8-10-19/h6-11,14,16H,12-13,15H2,1-5H3
InChIKeyFNGRNRDFHBVPKN-UHFFFAOYSA-N
MW407.58 g/mol
LogP6.75
Rot. Bonds5

About 2-[(4-methoxyphenoxy)methyl]-4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazole

2-[(4-methoxyphenoxy)methyl]-4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazole (PubChem CID 2742591) has the molecular formula C25H29NO2S and a molecular weight of 407.58 g/mol. Its IUPAC name is 2-[(4-methoxyphenoxy)methyl]-4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazole.

Molecular Properties

Compound Name2-[(4-methoxyphenoxy)methyl]-4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazole
PubChem CID2742591
Molecular FormulaC25H29NO2S
Molecular Weight407.58 g/mol
Exact Mass407.19
IUPAC Name2-[(4-methoxyphenoxy)methyl]-4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazole
SMILESCOc1ccc(OCc2nc(-c3ccc4c(c3)C(C)(C)CCC4(C)C)cs2)cc1
InChIInChI=1S/C25H29NO2S/c1-24(2)12-13-25(3,4)21-14-17(6-11-20(21)24)22-16-29-23(26-22)15-28-19-9-7-18(27-5)8-10-19/h6-11,14,16H,12-13,15H2,1-5H3
InChIKeyFNGRNRDFHBVPKN-UHFFFAOYSA-N
XLogP6.75
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.58
LogP ≤ 56.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-methoxyphenoxy)methyl]-4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazole?
The IUPAC name of 2-[(4-methoxyphenoxy)methyl]-4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazole (CID 2742591) is 2-[(4-methoxyphenoxy)methyl]-4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazole.
What is the SMILES notation for 2-[(4-methoxyphenoxy)methyl]-4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazole?
The canonical SMILES for 2-[(4-methoxyphenoxy)methyl]-4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazole is COc1ccc(OCc2nc(-c3ccc4c(c3)C(C)(C)CCC4(C)C)cs2)cc1.
What is the InChIKey of 2-[(4-methoxyphenoxy)methyl]-4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazole?
The InChIKey is FNGRNRDFHBVPKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29NO2S/c1-24(2)12-13-25(3,4)21-14-17(6-11-20(21)24)22-16-29-23(26-22)15-28-19-9-7-18(27-5)8-10-19/h6-11,14,16H,12-13,15H2,1-5H3.
What are the key properties of 2-[(4-methoxyphenoxy)methyl]-4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazole?
2-[(4-methoxyphenoxy)methyl]-4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazole has a molecular weight of 407.58 g/mol, XLogP of 6.75, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methoxyphenoxy)methyl]-4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazole is sourced from PubChem (CID 2742591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).