(3-methylphenyl)methyl 3-(1,3-thiazol-4-ylmethoxy)benzoate

C19H17NO3S — CID 55451662

IUPAC(3-methylphenyl)methyl 3-(1,3-thiazol-4-ylmethoxy)benzoate
SMILESCc1cccc(COC(=O)c2cccc(OCc3cscn3)c2)c1
InChIInChI=1S/C19H17NO3S/c1-14-4-2-5-15(8-14)10-23-19(21)16-6-3-7-18(9-16)22-11-17-12-24-13-20-17/h2-9,12-13H,10-11H2,1H3
InChIKeyKTRDZDKKSCQQBV-UHFFFAOYSA-N
MW339.42 g/mol
LogP4.39
Rot. Bonds6

About (3-methylphenyl)methyl 3-(1,3-thiazol-4-ylmethoxy)benzoate

(3-methylphenyl)methyl 3-(1,3-thiazol-4-ylmethoxy)benzoate (PubChem CID 55451662) has the molecular formula C19H17NO3S and a molecular weight of 339.42 g/mol. Its IUPAC name is (3-methylphenyl)methyl 3-(1,3-thiazol-4-ylmethoxy)benzoate.

Molecular Properties

Compound Name(3-methylphenyl)methyl 3-(1,3-thiazol-4-ylmethoxy)benzoate
PubChem CID55451662
Molecular FormulaC19H17NO3S
Molecular Weight339.42 g/mol
Exact Mass339.09
IUPAC Name(3-methylphenyl)methyl 3-(1,3-thiazol-4-ylmethoxy)benzoate
SMILESCc1cccc(COC(=O)c2cccc(OCc3cscn3)c2)c1
InChIInChI=1S/C19H17NO3S/c1-14-4-2-5-15(8-14)10-23-19(21)16-6-3-7-18(9-16)22-11-17-12-24-13-20-17/h2-9,12-13H,10-11H2,1H3
InChIKeyKTRDZDKKSCQQBV-UHFFFAOYSA-N
XLogP4.39
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.42
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(2,3-difluorophenyl)methyl 3-(1,3-thiazol-4-ylmethoxy)benzoate
CID 55451408
benzyl 4-(1,3-thiazol-4-ylmethoxy)benzoate
CID 86907808
(3-methylphenyl)methyl 3-hydroxybenzoate
CID 44587285
[3-(1,3-thiazol-4-ylmethoxy)phenyl]methanol
CID 28782947
[2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-2-oxoethyl] 3-(1,3-thiazol-4-ylmethoxy)benzoate
CID 55451441
azetidin-1-yl-[3-(1,3-thiazol-4-ylmethoxy)phenyl]methanone
CID 134041483
[4-[2,2-dimethylpropanoyl(methyl)amino]phenyl] 3-(1,3-thiazol-4-ylmethoxy)benzoate
CID 86911740
[3-(4-nitrophenyl)-1,2,4-oxadiazol-5-yl]methyl 3-(1,3-thiazol-4-ylmethoxy)benzoate
CID 55737843
2-(3-methylphenoxy)ethyl 3-(methoxymethyl)benzoate
CID 55386133
N'-(2,3,4,5,6-pentafluorophenyl)-3-(1,3-thiazol-4-ylmethoxy)benzohydrazide
CID 86912306
N-(3-iodo-4-methylphenyl)-3-(1,3-thiazol-4-ylmethoxy)benzamide
CID 27009451
naphthalen-2-ylmethyl 3-methylbenzoate
CID 976134

Frequently Asked Questions

What is the IUPAC name of (3-methylphenyl)methyl 3-(1,3-thiazol-4-ylmethoxy)benzoate?
The IUPAC name of (3-methylphenyl)methyl 3-(1,3-thiazol-4-ylmethoxy)benzoate (CID 55451662) is (3-methylphenyl)methyl 3-(1,3-thiazol-4-ylmethoxy)benzoate.
What is the SMILES notation for (3-methylphenyl)methyl 3-(1,3-thiazol-4-ylmethoxy)benzoate?
The canonical SMILES for (3-methylphenyl)methyl 3-(1,3-thiazol-4-ylmethoxy)benzoate is Cc1cccc(COC(=O)c2cccc(OCc3cscn3)c2)c1.
What is the InChIKey of (3-methylphenyl)methyl 3-(1,3-thiazol-4-ylmethoxy)benzoate?
The InChIKey is KTRDZDKKSCQQBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO3S/c1-14-4-2-5-15(8-14)10-23-19(21)16-6-3-7-18(9-16)22-11-17-12-24-13-20-17/h2-9,12-13H,10-11H2,1H3.
What are the key properties of (3-methylphenyl)methyl 3-(1,3-thiazol-4-ylmethoxy)benzoate?
(3-methylphenyl)methyl 3-(1,3-thiazol-4-ylmethoxy)benzoate has a molecular weight of 339.42 g/mol, XLogP of 4.39, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methylphenyl)methyl 3-(1,3-thiazol-4-ylmethoxy)benzoate is sourced from PubChem (CID 55451662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).