methyl 3-[4-(4-methyl-1,3-thiazol-2-yl)phenoxy]butanoate

C15H17NO3S — CID 43536243

IUPACmethyl 3-[4-(4-methyl-1,3-thiazol-2-yl)phenoxy]butanoate
SMILESCOC(=O)CC(C)Oc1ccc(-c2nc(C)cs2)cc1
InChIInChI=1S/C15H17NO3S/c1-10-9-20-15(16-10)12-4-6-13(7-5-12)19-11(2)8-14(17)18-3/h4-7,9,11H,8H2,1-3H3
InChIKeyNUCZUVCTQVLAOK-UHFFFAOYSA-N
MW291.37 g/mol
LogP3.45
Rot. Bonds5

About methyl 3-[4-(4-methyl-1,3-thiazol-2-yl)phenoxy]butanoate

methyl 3-[4-(4-methyl-1,3-thiazol-2-yl)phenoxy]butanoate (PubChem CID 43536243) has the molecular formula C15H17NO3S and a molecular weight of 291.37 g/mol. Its IUPAC name is methyl 3-[4-(4-methyl-1,3-thiazol-2-yl)phenoxy]butanoate.

Molecular Properties

Compound Namemethyl 3-[4-(4-methyl-1,3-thiazol-2-yl)phenoxy]butanoate
PubChem CID43536243
Molecular FormulaC15H17NO3S
Molecular Weight291.37 g/mol
Exact Mass291.09
IUPAC Namemethyl 3-[4-(4-methyl-1,3-thiazol-2-yl)phenoxy]butanoate
SMILESCOC(=O)CC(C)Oc1ccc(-c2nc(C)cs2)cc1
InChIInChI=1S/C15H17NO3S/c1-10-9-20-15(16-10)12-4-6-13(7-5-12)19-11(2)8-14(17)18-3/h4-7,9,11H,8H2,1-3H3
InChIKeyNUCZUVCTQVLAOK-UHFFFAOYSA-N
XLogP3.45
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.37
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 3-[4-(4-methylphenyl)phenoxy]butanoate
CID 43536216
3-[4-(4-methyl-1,3-thiazol-2-yl)phenoxy]butan-2-one
CID 62034527
methyl 3-(4-methoxyphenoxy)butanoate
CID 43536008
3-methyl-2-[4-(4-methyl-1,3-thiazol-2-yl)phenoxy]butanehydrazide
CID 63570310
2-fluoro-2-[4-(4-methyl-1,3-thiazol-2-yl)phenoxy]acetic acid
CID 79357223
methyl 3-(4-ethylphenoxy)butanoate
CID 43535962
N-methyl-2-[4-(4-methyl-1,3-thiazol-2-yl)phenoxy]acetamide
CID 9123257
1-methoxy-3-[4-(4-methyl-1,3-thiazol-2-yl)phenoxy]propan-2-one
CID 107508099
N-[(2S)-butan-2-yl]-2-[4-(4-methyl-1,3-thiazol-2-yl)phenoxy]acetamide
CID 9123252
1-[4-(4-methyl-1,3-thiazol-2-yl)phenoxy]butan-2-one
CID 62040002
methyl (2S)-4-methyl-2-[[2-[4-(4-methyl-1,3-thiazol-2-yl)phenoxy]acetyl]amino]pentanoate
CID 9123652
4-amino-3-methoxy-N-[4-(4-methyl-1,3-thiazol-2-yl)phenyl]butanamide
CID 120590818

Frequently Asked Questions

What is the IUPAC name of methyl 3-[4-(4-methyl-1,3-thiazol-2-yl)phenoxy]butanoate?
The IUPAC name of methyl 3-[4-(4-methyl-1,3-thiazol-2-yl)phenoxy]butanoate (CID 43536243) is methyl 3-[4-(4-methyl-1,3-thiazol-2-yl)phenoxy]butanoate.
What is the SMILES notation for methyl 3-[4-(4-methyl-1,3-thiazol-2-yl)phenoxy]butanoate?
The canonical SMILES for methyl 3-[4-(4-methyl-1,3-thiazol-2-yl)phenoxy]butanoate is COC(=O)CC(C)Oc1ccc(-c2nc(C)cs2)cc1.
What is the InChIKey of methyl 3-[4-(4-methyl-1,3-thiazol-2-yl)phenoxy]butanoate?
The InChIKey is NUCZUVCTQVLAOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO3S/c1-10-9-20-15(16-10)12-4-6-13(7-5-12)19-11(2)8-14(17)18-3/h4-7,9,11H,8H2,1-3H3.
What are the key properties of methyl 3-[4-(4-methyl-1,3-thiazol-2-yl)phenoxy]butanoate?
methyl 3-[4-(4-methyl-1,3-thiazol-2-yl)phenoxy]butanoate has a molecular weight of 291.37 g/mol, XLogP of 3.45, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[4-(4-methyl-1,3-thiazol-2-yl)phenoxy]butanoate is sourced from PubChem (CID 43536243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).