(4-methylphenyl)methyl 2-(2-methyl-1,3-thiazol-4-yl)acetate

C14H15NO2S — CID 55328053

IUPAC(4-methylphenyl)methyl 2-(2-methyl-1,3-thiazol-4-yl)acetate
SMILESCc1ccc(COC(=O)Cc2csc(C)n2)cc1
InChIInChI=1S/C14H15NO2S/c1-10-3-5-12(6-4-10)8-17-14(16)7-13-9-18-11(2)15-13/h3-6,9H,7-8H2,1-2H3
InChIKeyMFUWCSDHYUNXBO-UHFFFAOYSA-N
MW261.35 g/mol
LogP3.05
Rot. Bonds4

About (4-methylphenyl)methyl 2-(2-methyl-1,3-thiazol-4-yl)acetate

(4-methylphenyl)methyl 2-(2-methyl-1,3-thiazol-4-yl)acetate (PubChem CID 55328053) has the molecular formula C14H15NO2S and a molecular weight of 261.35 g/mol. Its IUPAC name is (4-methylphenyl)methyl 2-(2-methyl-1,3-thiazol-4-yl)acetate.

Molecular Properties

Compound Name(4-methylphenyl)methyl 2-(2-methyl-1,3-thiazol-4-yl)acetate
PubChem CID55328053
Molecular FormulaC14H15NO2S
Molecular Weight261.35 g/mol
Exact Mass261.08
IUPAC Name(4-methylphenyl)methyl 2-(2-methyl-1,3-thiazol-4-yl)acetate
SMILESCc1ccc(COC(=O)Cc2csc(C)n2)cc1
InChIInChI=1S/C14H15NO2S/c1-10-3-5-12(6-4-10)8-17-14(16)7-13-9-18-11(2)15-13/h3-6,9H,7-8H2,1-2H3
InChIKeyMFUWCSDHYUNXBO-UHFFFAOYSA-N
XLogP3.05
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.35
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(3-methylphenyl)methyl 2-(2-methyl-1,3-thiazol-4-yl)acetate
CID 55327909
methyl 3-[[2-(2-methyl-1,3-thiazol-4-yl)acetyl]oxymethyl]furan-2-carboxylate
CID 55459201
[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl 2-phenylacetate
CID 55319347
[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl 2-(2-methyl-1,3-thiazol-4-yl)acetate
CID 55529702
[3-fluoro-4-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]phenyl]methyl 2-aminoacetate;hydrochloride
CID 161422246
[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]methyl 2-(2-methyl-1,3-thiazol-4-yl)acetate
CID 29379767
N-methoxy-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 60716850
(4-methylphenyl)methyl 2-chloroacetate
CID 11275652
1-(2-methyl-1,3-thiazol-4-yl)-3-thiophen-3-ylpropan-2-one
CID 62800195
[2-(N-(2-ethoxy-2-oxoethyl)anilino)-2-oxoethyl] 2-(2-methyl-1,3-thiazol-4-yl)acetate
CID 55327946
1-(4-methylphenyl)-3-(2-methyl-1,3-thiazol-4-yl)propan-2-ol
CID 62799671
[2-(cyclopentylcarbamoylamino)-2-oxoethyl] 2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetate
CID 8815631

Frequently Asked Questions

What is the IUPAC name of (4-methylphenyl)methyl 2-(2-methyl-1,3-thiazol-4-yl)acetate?
The IUPAC name of (4-methylphenyl)methyl 2-(2-methyl-1,3-thiazol-4-yl)acetate (CID 55328053) is (4-methylphenyl)methyl 2-(2-methyl-1,3-thiazol-4-yl)acetate.
What is the SMILES notation for (4-methylphenyl)methyl 2-(2-methyl-1,3-thiazol-4-yl)acetate?
The canonical SMILES for (4-methylphenyl)methyl 2-(2-methyl-1,3-thiazol-4-yl)acetate is Cc1ccc(COC(=O)Cc2csc(C)n2)cc1.
What is the InChIKey of (4-methylphenyl)methyl 2-(2-methyl-1,3-thiazol-4-yl)acetate?
The InChIKey is MFUWCSDHYUNXBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO2S/c1-10-3-5-12(6-4-10)8-17-14(16)7-13-9-18-11(2)15-13/h3-6,9H,7-8H2,1-2H3.
What are the key properties of (4-methylphenyl)methyl 2-(2-methyl-1,3-thiazol-4-yl)acetate?
(4-methylphenyl)methyl 2-(2-methyl-1,3-thiazol-4-yl)acetate has a molecular weight of 261.35 g/mol, XLogP of 3.05, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylphenyl)methyl 2-(2-methyl-1,3-thiazol-4-yl)acetate is sourced from PubChem (CID 55328053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).