methyl 4-[2-(1,3-thiazol-2-yl)propan-2-yl]benzoate

C14H15NO2S — CID 67257411

IUPACmethyl 4-[2-(1,3-thiazol-2-yl)propan-2-yl]benzoate
SMILESCOC(=O)c1ccc(C(C)(C)c2nccs2)cc1
InChIInChI=1S/C14H15NO2S/c1-14(2,13-15-8-9-18-13)11-6-4-10(5-7-11)12(16)17-3/h4-9H,1-3H3
InChIKeyZFNRFVMUMRYPRO-UHFFFAOYSA-N
MW261.35 g/mol
LogP3.26
Rot. Bonds3

About methyl 4-[2-(1,3-thiazol-2-yl)propan-2-yl]benzoate

methyl 4-[2-(1,3-thiazol-2-yl)propan-2-yl]benzoate (PubChem CID 67257411) has the molecular formula C14H15NO2S and a molecular weight of 261.35 g/mol. Its IUPAC name is methyl 4-[2-(1,3-thiazol-2-yl)propan-2-yl]benzoate.

Molecular Properties

Compound Namemethyl 4-[2-(1,3-thiazol-2-yl)propan-2-yl]benzoate
PubChem CID67257411
Molecular FormulaC14H15NO2S
Molecular Weight261.35 g/mol
Exact Mass261.08
IUPAC Namemethyl 4-[2-(1,3-thiazol-2-yl)propan-2-yl]benzoate
SMILESCOC(=O)c1ccc(C(C)(C)c2nccs2)cc1
InChIInChI=1S/C14H15NO2S/c1-14(2,13-15-8-9-18-13)11-6-4-10(5-7-11)12(16)17-3/h4-9H,1-3H3
InChIKeyZFNRFVMUMRYPRO-UHFFFAOYSA-N
XLogP3.26
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.35
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-methyl-2-(1,3-thiazol-2-yl)propanoate
CID 116987083
methyl 4-[2-(4-methoxyphenyl)propan-2-yl]benzoate
CID 122488284
methyl 4-[2-(hydroxyamino)propan-2-yl]benzoate
CID 10330711
methyl 4-(2-aminopropan-2-yl)benzoate;hydrochloride
CID 75365746
methyl 4-[(2R,3R)-2,3-dihydroxy-3-(4-methoxycarbonylphenyl)butan-2-yl]benzoate
CID 11132081
CID 67391169
CID 67391169
dimethyl benzene-1,4-dicarboxylate;methanol;terephthalic acid
CID 159205173
2-(4-methoxycarbonylphenyl)-3,3-dimethylbutanoic acid
CID 67204122
methyl 3-amino-3-(1,3-thiazol-2-yl)butanoate
CID 79848838
methyl 4-[4-(4-methoxycarbonylphenyl)-3,4-dimethylhexan-3-yl]benzoate
CID 139675985
methyl 4-(thieno[2,3-d]pyrimidin-4-ylamino)benzoate
CID 2453988
4-[2-(4-methoxycarbonylphenyl)-2-oxoacetyl]benzoic acid
CID 170457455

Frequently Asked Questions

What is the IUPAC name of methyl 4-[2-(1,3-thiazol-2-yl)propan-2-yl]benzoate?
The IUPAC name of methyl 4-[2-(1,3-thiazol-2-yl)propan-2-yl]benzoate (CID 67257411) is methyl 4-[2-(1,3-thiazol-2-yl)propan-2-yl]benzoate.
What is the SMILES notation for methyl 4-[2-(1,3-thiazol-2-yl)propan-2-yl]benzoate?
The canonical SMILES for methyl 4-[2-(1,3-thiazol-2-yl)propan-2-yl]benzoate is COC(=O)c1ccc(C(C)(C)c2nccs2)cc1.
What is the InChIKey of methyl 4-[2-(1,3-thiazol-2-yl)propan-2-yl]benzoate?
The InChIKey is ZFNRFVMUMRYPRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO2S/c1-14(2,13-15-8-9-18-13)11-6-4-10(5-7-11)12(16)17-3/h4-9H,1-3H3.
What are the key properties of methyl 4-[2-(1,3-thiazol-2-yl)propan-2-yl]benzoate?
methyl 4-[2-(1,3-thiazol-2-yl)propan-2-yl]benzoate has a molecular weight of 261.35 g/mol, XLogP of 3.26, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[2-(1,3-thiazol-2-yl)propan-2-yl]benzoate is sourced from PubChem (CID 67257411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).