4-[(4-tert-butylphenoxy)methyl]-2-ethyl-1,3-thiazole

C16H21NOS — CID 64766048

IUPAC4-[(4-tert-butylphenoxy)methyl]-2-ethyl-1,3-thiazole
SMILESCCc1nc(COc2ccc(C(C)(C)C)cc2)cs1
InChIInChI=1S/C16H21NOS/c1-5-15-17-13(11-19-15)10-18-14-8-6-12(7-9-14)16(2,3)4/h6-9,11H,5,10H2,1-4H3
InChIKeyRMKUHZKURDLESD-UHFFFAOYSA-N
MW275.42 g/mol
LogP4.58
Rot. Bonds4

About 4-[(4-tert-butylphenoxy)methyl]-2-ethyl-1,3-thiazole

4-[(4-tert-butylphenoxy)methyl]-2-ethyl-1,3-thiazole (PubChem CID 64766048) has the molecular formula C16H21NOS and a molecular weight of 275.42 g/mol. Its IUPAC name is 4-[(4-tert-butylphenoxy)methyl]-2-ethyl-1,3-thiazole.

Molecular Properties

Compound Name4-[(4-tert-butylphenoxy)methyl]-2-ethyl-1,3-thiazole
PubChem CID64766048
Molecular FormulaC16H21NOS
Molecular Weight275.42 g/mol
Exact Mass275.13
IUPAC Name4-[(4-tert-butylphenoxy)methyl]-2-ethyl-1,3-thiazole
SMILESCCc1nc(COc2ccc(C(C)(C)C)cc2)cs1
InChIInChI=1S/C16H21NOS/c1-5-15-17-13(11-19-15)10-18-14-8-6-12(7-9-14)16(2,3)4/h6-9,11H,5,10H2,1-4H3
InChIKeyRMKUHZKURDLESD-UHFFFAOYSA-N
XLogP4.58
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.42
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(4-ethoxyphenoxy)methyl]-2-ethyl-1,3-thiazole
CID 78878086
4-[(2-ethyl-1,3-thiazol-4-yl)methoxy]phenol
CID 61484157
4-[(2-ethyl-1,3-thiazol-4-yl)methoxy]-N-methylaniline
CID 55136719
[4-[[4-(2-methylbutan-2-yl)phenoxy]methyl]-1,3-thiazol-2-yl]methanamine
CID 62452340
1-[4-[(2-ethyl-1,3-thiazol-4-yl)methoxy]phenyl]-N-methylmethanamine
CID 54955994
2-ethyl-4-[(4-fluoro-3-methylphenoxy)methyl]-1,3-thiazole
CID 81422379
methyl N-[4-[(2-ethyl-1,3-thiazol-4-yl)methoxy]phenyl]carbamate
CID 47077529
4-[(4-tert-butylphenyl)sulfanylmethyl]-2-[(4-methoxyphenoxy)methyl]-1,3-thiazole
CID 46083414
4-[(4-fluorophenoxy)methyl]-2-propyl-1,3-thiazole
CID 60773447
4-[(4-bromophenoxy)methyl]-2-propyl-1,3-thiazole
CID 60773438
2-methyl-N-[[4-(phenoxymethyl)-1,3-thiazol-2-yl]methyl]propan-2-amine
CID 62454477
N-[4-[(2-ethyl-1,3-thiazol-4-yl)methoxy]phenyl]-2-methylsulfanylacetamide
CID 47077563

Frequently Asked Questions

What is the IUPAC name of 4-[(4-tert-butylphenoxy)methyl]-2-ethyl-1,3-thiazole?
The IUPAC name of 4-[(4-tert-butylphenoxy)methyl]-2-ethyl-1,3-thiazole (CID 64766048) is 4-[(4-tert-butylphenoxy)methyl]-2-ethyl-1,3-thiazole.
What is the SMILES notation for 4-[(4-tert-butylphenoxy)methyl]-2-ethyl-1,3-thiazole?
The canonical SMILES for 4-[(4-tert-butylphenoxy)methyl]-2-ethyl-1,3-thiazole is CCc1nc(COc2ccc(C(C)(C)C)cc2)cs1.
What is the InChIKey of 4-[(4-tert-butylphenoxy)methyl]-2-ethyl-1,3-thiazole?
The InChIKey is RMKUHZKURDLESD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NOS/c1-5-15-17-13(11-19-15)10-18-14-8-6-12(7-9-14)16(2,3)4/h6-9,11H,5,10H2,1-4H3.
What are the key properties of 4-[(4-tert-butylphenoxy)methyl]-2-ethyl-1,3-thiazole?
4-[(4-tert-butylphenoxy)methyl]-2-ethyl-1,3-thiazole has a molecular weight of 275.42 g/mol, XLogP of 4.58, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-tert-butylphenoxy)methyl]-2-ethyl-1,3-thiazole is sourced from PubChem (CID 64766048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).