2-[[2-(2-tert-butylphenoxy)-3-pyridinyl]methyl]-4-(ethoxymethyl)-5-phenyl-1,3-thiazole

C28H30N2O2S — CID 161170957

IUPAC2-[[2-(2-tert-butylphenoxy)-3-pyridinyl]methyl]-4-(ethoxymethyl)-5-phenyl-1,3-thiazole
SMILESCCOCc1nc(Cc2cccnc2Oc2ccccc2C(C)(C)C)sc1-c1ccccc1
InChIInChI=1S/C28H30N2O2S/c1-5-31-19-23-26(20-12-7-6-8-13-20)33-25(30-23)18-21-14-11-17-29-27(21)32-24-16-10-9-15-22(24)28(2,3)4/h6-17H,5,18-19H2,1-4H3
InChIKeyUREAHWZWQHSEBA-UHFFFAOYSA-N
MW458.63 g/mol
LogP7.42
Rot. Bonds8

About 2-[[2-(2-tert-butylphenoxy)-3-pyridinyl]methyl]-4-(ethoxymethyl)-5-phenyl-1,3-thiazole

2-[[2-(2-tert-butylphenoxy)-3-pyridinyl]methyl]-4-(ethoxymethyl)-5-phenyl-1,3-thiazole (PubChem CID 161170957) has the molecular formula C28H30N2O2S and a molecular weight of 458.63 g/mol. Its IUPAC name is 2-[[2-(2-tert-butylphenoxy)-3-pyridinyl]methyl]-4-(ethoxymethyl)-5-phenyl-1,3-thiazole.

Molecular Properties

Compound Name2-[[2-(2-tert-butylphenoxy)-3-pyridinyl]methyl]-4-(ethoxymethyl)-5-phenyl-1,3-thiazole
PubChem CID161170957
Molecular FormulaC28H30N2O2S
Molecular Weight458.63 g/mol
Exact Mass458.20
IUPAC Name2-[[2-(2-tert-butylphenoxy)-3-pyridinyl]methyl]-4-(ethoxymethyl)-5-phenyl-1,3-thiazole
SMILESCCOCc1nc(Cc2cccnc2Oc2ccccc2C(C)(C)C)sc1-c1ccccc1
InChIInChI=1S/C28H30N2O2S/c1-5-31-19-23-26(20-12-7-6-8-13-20)33-25(30-23)18-21-14-11-17-29-27(21)32-24-16-10-9-15-22(24)28(2,3)4/h6-17H,5,18-19H2,1-4H3
InChIKeyUREAHWZWQHSEBA-UHFFFAOYSA-N
XLogP7.42
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.63
LogP ≤ 57.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[[2-(2-tert-butylphenoxy)-3-pyridinyl]methyl]-4-(ethoxymethyl)-5-phenyl-1,3-thiazole with MolForge

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Related Compounds

2-[[2-(2-tert-butylphenoxy)-3-pyridinyl]methyl]-5-(1H-1,2,4-triazol-5-yl)-4-(trifluoromethyl)-1,3-thiazole
CID 159222570
[2-(2-tert-butylphenoxy)-3-pyridinyl]methanol
CID 61255865
4-tert-butyl-N-[2-(2-tert-butylphenoxy)-3-pyridinyl]-5-phenyl-1,3-thiazol-2-amine
CID 59128997
N-[2-(2-tert-butylphenoxy)-3-pyridinyl]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-amine
CID 59129098
5-[2-[[2-(2-tert-butylphenoxy)-3-pyridinyl]amino]-5-phenyl-1,3-thiazol-4-yl]-5-methylhexanoic acid
CID 59128889
3-tert-butyl-2-phenylmethoxypyridine
CID 157173376
N-[[2-[2-(trifluoromethyl)phenoxy]-3-pyridinyl]methyl]ethanamine
CID 62296366
N-[2-(2-tert-butylphenoxy)-3-pyridinyl]-4-ethyl-1,3-thiazol-2-amine
CID 86250340
3-[(2-tert-butylphenoxy)methyl]pyridine-2-carbonitrile
CID 62920098
N-[2-(2-tert-butylphenoxy)-3-pyridinyl]-5-propyl-4-(trifluoromethyl)-1,3-thiazol-2-amine
CID 143693019
N-[2-(2-tert-butylphenoxy)-3-pyridinyl]-5-(4-propan-2-ylphenyl)-4-(trifluoromethyl)-1,3-thiazol-2-amine
CID 59128790
5-[[benzyl(methyl)amino]methyl]-N-[2-(2-tert-butylphenoxy)-3-pyridinyl]-1,3-thiazol-2-amine
CID 59128782

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2-tert-butylphenoxy)-3-pyridinyl]methyl]-4-(ethoxymethyl)-5-phenyl-1,3-thiazole?
The IUPAC name of 2-[[2-(2-tert-butylphenoxy)-3-pyridinyl]methyl]-4-(ethoxymethyl)-5-phenyl-1,3-thiazole (CID 161170957) is 2-[[2-(2-tert-butylphenoxy)-3-pyridinyl]methyl]-4-(ethoxymethyl)-5-phenyl-1,3-thiazole.
What is the SMILES notation for 2-[[2-(2-tert-butylphenoxy)-3-pyridinyl]methyl]-4-(ethoxymethyl)-5-phenyl-1,3-thiazole?
The canonical SMILES for 2-[[2-(2-tert-butylphenoxy)-3-pyridinyl]methyl]-4-(ethoxymethyl)-5-phenyl-1,3-thiazole is CCOCc1nc(Cc2cccnc2Oc2ccccc2C(C)(C)C)sc1-c1ccccc1.
What is the InChIKey of 2-[[2-(2-tert-butylphenoxy)-3-pyridinyl]methyl]-4-(ethoxymethyl)-5-phenyl-1,3-thiazole?
The InChIKey is UREAHWZWQHSEBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30N2O2S/c1-5-31-19-23-26(20-12-7-6-8-13-20)33-25(30-23)18-21-14-11-17-29-27(21)32-24-16-10-9-15-22(24)28(2,3)4/h6-17H,5,18-19H2,1-4H3.
What are the key properties of 2-[[2-(2-tert-butylphenoxy)-3-pyridinyl]methyl]-4-(ethoxymethyl)-5-phenyl-1,3-thiazole?
2-[[2-(2-tert-butylphenoxy)-3-pyridinyl]methyl]-4-(ethoxymethyl)-5-phenyl-1,3-thiazole has a molecular weight of 458.63 g/mol, XLogP of 7.42, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2-tert-butylphenoxy)-3-pyridinyl]methyl]-4-(ethoxymethyl)-5-phenyl-1,3-thiazole is sourced from PubChem (CID 161170957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).