2-ethyl-4-[4-[(2-methylphenoxy)methyl]-1,3-thiazol-2-yl]-1,3-thiazole

C16H16N2OS2 — CID 69026342

IUPAC2-ethyl-4-[4-[(2-methylphenoxy)methyl]-1,3-thiazol-2-yl]-1,3-thiazole
SMILESCCc1nc(-c2nc(COc3ccccc3C)cs2)cs1
InChIInChI=1S/C16H16N2OS2/c1-3-15-18-13(10-20-15)16-17-12(9-21-16)8-19-14-7-5-4-6-11(14)2/h4-7,9-10H,3,8H2,1-2H3
InChIKeyPNZDWWWSANJFKQ-UHFFFAOYSA-N
MW316.45 g/mol
LogP4.72
Rot. Bonds5

About 2-ethyl-4-[4-[(2-methylphenoxy)methyl]-1,3-thiazol-2-yl]-1,3-thiazole

2-ethyl-4-[4-[(2-methylphenoxy)methyl]-1,3-thiazol-2-yl]-1,3-thiazole (PubChem CID 69026342) has the molecular formula C16H16N2OS2 and a molecular weight of 316.45 g/mol. Its IUPAC name is 2-ethyl-4-[4-[(2-methylphenoxy)methyl]-1,3-thiazol-2-yl]-1,3-thiazole.

Molecular Properties

Compound Name2-ethyl-4-[4-[(2-methylphenoxy)methyl]-1,3-thiazol-2-yl]-1,3-thiazole
PubChem CID69026342
Molecular FormulaC16H16N2OS2
Molecular Weight316.45 g/mol
Exact Mass316.07
IUPAC Name2-ethyl-4-[4-[(2-methylphenoxy)methyl]-1,3-thiazol-2-yl]-1,3-thiazole
SMILESCCc1nc(-c2nc(COc3ccccc3C)cs2)cs1
InChIInChI=1S/C16H16N2OS2/c1-3-15-18-13(10-20-15)16-17-12(9-21-16)8-19-14-7-5-4-6-11(14)2/h4-7,9-10H,3,8H2,1-2H3
InChIKeyPNZDWWWSANJFKQ-UHFFFAOYSA-N
XLogP4.72
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.45
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-ethyl-4-[4-[(2-methylphenoxy)methyl]-1,3-thiazol-2-yl]-1,3-thiazole with MolForge

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Related Compounds

2-methyl-4-[(2-methylphenoxy)methyl]-1,3-thiazole
CID 60645457
1-[2-[(2-ethyl-1,3-thiazol-4-yl)methoxy]phenyl]propan-1-amine
CID 61484148
3-[(2-ethyl-1,3-thiazol-4-yl)methoxy]-4-methylbenzoic acid
CID 60722313
2-amino-3-[2-[(2-methylphenoxy)methyl]-1,3-thiazol-4-yl]propanoic acid
CID 82021609
[2-chloro-6-[(2-ethyl-1,3-thiazol-4-yl)methoxy]phenyl]methanamine
CID 114318303
2-methyl-N-[[2-[(2-methylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]propan-1-amine
CID 42837275
1-[2-[(2-methylphenoxy)methyl]-1,3-thiazol-4-yl]ethanamine
CID 20982880
[2-[2-(2-methylphenoxy)ethyl]-1,3-thiazol-4-yl]methanamine
CID 82104670
N-[[4-[(2-fluoro-3-methylphenoxy)methyl]-1,3-thiazol-2-yl]methyl]ethanamine
CID 107661200
4-[(4-ethoxyphenoxy)methyl]-2-ethyl-1,3-thiazole
CID 78878086
2-[(2-ethyl-1,3-thiazol-4-yl)methoxy]-6-fluorobenzoic acid
CID 104651306
4-[(2-ethyl-1,3-thiazol-4-yl)methoxy]phenol
CID 61484157

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-[4-[(2-methylphenoxy)methyl]-1,3-thiazol-2-yl]-1,3-thiazole?
The IUPAC name of 2-ethyl-4-[4-[(2-methylphenoxy)methyl]-1,3-thiazol-2-yl]-1,3-thiazole (CID 69026342) is 2-ethyl-4-[4-[(2-methylphenoxy)methyl]-1,3-thiazol-2-yl]-1,3-thiazole.
What is the SMILES notation for 2-ethyl-4-[4-[(2-methylphenoxy)methyl]-1,3-thiazol-2-yl]-1,3-thiazole?
The canonical SMILES for 2-ethyl-4-[4-[(2-methylphenoxy)methyl]-1,3-thiazol-2-yl]-1,3-thiazole is CCc1nc(-c2nc(COc3ccccc3C)cs2)cs1.
What is the InChIKey of 2-ethyl-4-[4-[(2-methylphenoxy)methyl]-1,3-thiazol-2-yl]-1,3-thiazole?
The InChIKey is PNZDWWWSANJFKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2OS2/c1-3-15-18-13(10-20-15)16-17-12(9-21-16)8-19-14-7-5-4-6-11(14)2/h4-7,9-10H,3,8H2,1-2H3.
What are the key properties of 2-ethyl-4-[4-[(2-methylphenoxy)methyl]-1,3-thiazol-2-yl]-1,3-thiazole?
2-ethyl-4-[4-[(2-methylphenoxy)methyl]-1,3-thiazol-2-yl]-1,3-thiazole has a molecular weight of 316.45 g/mol, XLogP of 4.72, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-[4-[(2-methylphenoxy)methyl]-1,3-thiazol-2-yl]-1,3-thiazole is sourced from PubChem (CID 69026342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).