(2-phenyl-1,3-thiazol-4-yl)methyl 2-(difluoromethoxy)benzoate

C18H13F2NO3S — CID 55327358

IUPAC(2-phenyl-1,3-thiazol-4-yl)methyl 2-(difluoromethoxy)benzoate
SMILESO=C(OCc1csc(-c2ccccc2)n1)c1ccccc1OC(F)F
InChIInChI=1S/C18H13F2NO3S/c19-18(20)24-15-9-5-4-8-14(15)17(22)23-10-13-11-25-16(21-13)12-6-2-1-3-7-12/h1-9,11,18H,10H2
InChIKeyAMAVUQRMINQTPV-UHFFFAOYSA-N
MW361.37 g/mol
LogP4.77
Rot. Bonds6

About (2-phenyl-1,3-thiazol-4-yl)methyl 2-(difluoromethoxy)benzoate

(2-phenyl-1,3-thiazol-4-yl)methyl 2-(difluoromethoxy)benzoate (PubChem CID 55327358) has the molecular formula C18H13F2NO3S and a molecular weight of 361.37 g/mol. Its IUPAC name is (2-phenyl-1,3-thiazol-4-yl)methyl 2-(difluoromethoxy)benzoate.

Molecular Properties

Compound Name(2-phenyl-1,3-thiazol-4-yl)methyl 2-(difluoromethoxy)benzoate
PubChem CID55327358
Molecular FormulaC18H13F2NO3S
Molecular Weight361.37 g/mol
Exact Mass361.06
IUPAC Name(2-phenyl-1,3-thiazol-4-yl)methyl 2-(difluoromethoxy)benzoate
SMILESO=C(OCc1csc(-c2ccccc2)n1)c1ccccc1OC(F)F
InChIInChI=1S/C18H13F2NO3S/c19-18(20)24-15-9-5-4-8-14(15)17(22)23-10-13-11-25-16(21-13)12-6-2-1-3-7-12/h1-9,11,18H,10H2
InChIKeyAMAVUQRMINQTPV-UHFFFAOYSA-N
XLogP4.77
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.37
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(2-propyl-1,3-thiazol-4-yl)methyl 2-(difluoromethoxy)benzoate
CID 55571035
benzyl 2-(difluoromethoxy)benzoate
CID 55327292
(2-phenyl-1,3-thiazol-4-yl)methyl pyridine-4-carboxylate
CID 7478095
(2-phenyl-1,3-thiazol-4-yl)methyl 1,4-dihydroxynaphthalene-2-carboxylate
CID 2482716
[2-(4-ethoxy-3-methoxyphenyl)-1,3-thiazol-4-yl]methyl 2-(difluoromethoxy)-3-methoxybenzoate
CID 55326417
(2-phenyl-1,3-thiazol-4-yl)methyl 3,4-difluorobenzoate
CID 30305825
[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl 2-bromobenzoate
CID 7866284
(2-phenyl-1,3-thiazol-4-yl)methyl anthracene-9-carboxylate
CID 7786495
(2-phenyl-1,3-thiazol-4-yl)methyl 2-(2-fluorophenoxy)acetate
CID 23962440
(2-phenyl-1,3-thiazol-4-yl)methyl 3,5-dimethoxy-4-methylbenzoate
CID 4857964
(2-phenyl-1,3-thiazol-4-yl)methyl 2-(4-phenylphenyl)quinoline-4-carboxylate
CID 3907572
(2-phenyl-1,3-thiazol-4-yl)methyl 2-methyl-1,8-naphthyridine-3-carboxylate
CID 66632863

Frequently Asked Questions

What is the IUPAC name of (2-phenyl-1,3-thiazol-4-yl)methyl 2-(difluoromethoxy)benzoate?
The IUPAC name of (2-phenyl-1,3-thiazol-4-yl)methyl 2-(difluoromethoxy)benzoate (CID 55327358) is (2-phenyl-1,3-thiazol-4-yl)methyl 2-(difluoromethoxy)benzoate.
What is the SMILES notation for (2-phenyl-1,3-thiazol-4-yl)methyl 2-(difluoromethoxy)benzoate?
The canonical SMILES for (2-phenyl-1,3-thiazol-4-yl)methyl 2-(difluoromethoxy)benzoate is O=C(OCc1csc(-c2ccccc2)n1)c1ccccc1OC(F)F.
What is the InChIKey of (2-phenyl-1,3-thiazol-4-yl)methyl 2-(difluoromethoxy)benzoate?
The InChIKey is AMAVUQRMINQTPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13F2NO3S/c19-18(20)24-15-9-5-4-8-14(15)17(22)23-10-13-11-25-16(21-13)12-6-2-1-3-7-12/h1-9,11,18H,10H2.
What are the key properties of (2-phenyl-1,3-thiazol-4-yl)methyl 2-(difluoromethoxy)benzoate?
(2-phenyl-1,3-thiazol-4-yl)methyl 2-(difluoromethoxy)benzoate has a molecular weight of 361.37 g/mol, XLogP of 4.77, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-phenyl-1,3-thiazol-4-yl)methyl 2-(difluoromethoxy)benzoate is sourced from PubChem (CID 55327358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).