[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl 4-(difluoromethoxy)-3-methoxybenzoate

C19H14F3NO4S — CID 7214462

IUPAC[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl 4-(difluoromethoxy)-3-methoxybenzoate
SMILESCOc1cc(C(=O)OCc2csc(-c3ccc(F)cc3)n2)ccc1OC(F)F
InChIInChI=1S/C19H14F3NO4S/c1-25-16-8-12(4-7-15(16)27-19(21)22)18(24)26-9-14-10-28-17(23-14)11-2-5-13(20)6-3-11/h2-8,10,19H,9H2,1H3
InChIKeyWOBSPCXCJDNSCH-UHFFFAOYSA-N
MW409.39 g/mol
LogP4.92
Rot. Bonds7

About [2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl 4-(difluoromethoxy)-3-methoxybenzoate

[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl 4-(difluoromethoxy)-3-methoxybenzoate (PubChem CID 7214462) has the molecular formula C19H14F3NO4S and a molecular weight of 409.39 g/mol. Its IUPAC name is [2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl 4-(difluoromethoxy)-3-methoxybenzoate.

Molecular Properties

Compound Name[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl 4-(difluoromethoxy)-3-methoxybenzoate
PubChem CID7214462
Molecular FormulaC19H14F3NO4S
Molecular Weight409.39 g/mol
Exact Mass409.06
IUPAC Name[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl 4-(difluoromethoxy)-3-methoxybenzoate
SMILESCOc1cc(C(=O)OCc2csc(-c3ccc(F)cc3)n2)ccc1OC(F)F
InChIInChI=1S/C19H14F3NO4S/c1-25-16-8-12(4-7-15(16)27-19(21)22)18(24)26-9-14-10-28-17(23-14)11-2-5-13(20)6-3-11/h2-8,10,19H,9H2,1H3
InChIKeyWOBSPCXCJDNSCH-UHFFFAOYSA-N
XLogP4.92
TPSA57.65 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.39
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-(3,4,5-Trimethoxybenzoyl)-2-phenylthiazole
CID 25227430
Smart-F
CID 25227431
[2-(4-Methylphenyl)-1,3-thiazol-4-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 25258609
[2-(2-Fluorophenyl)-1,3-thiazol-4-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 25258610
[2-(3-Fluorophenyl)-1,3-thiazol-4-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 25258829
[2-(3,4-Dimethoxyphenyl)-4-thiazolyl](3,4,5-trimethoxyphenyl)methanone
CID 25258830
[2-[4-(Trifluoromethyl)phenyl]-1,3-thiazol-4-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 25259518
[3,5-Dimethoxy-4-(methoxymethoxy)phenyl]-(2-phenyl-1,3-thiazol-4-yl)methanone
CID 118499017
(2-phenyl-1,3-thiazol-4-yl)methyl (E)-3-(3,4-dimethoxyphenyl)prop-2-enoate
CID 2339979
4-[2-(3,4-Diethoxyphenyl)-1,3-thiazol-4-yl]benzoic acid
CID 10429181
4-Hydroxybenzoic acid (2-phenyl-4-thiazolyl)methyl ester
CID 2399726
Ethyl 2-(3,4-dimethoxyphenyl)-1,3-thiazole-4-carboxylate
CID 2763629

Frequently Asked Questions

What is the IUPAC name of [2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl 4-(difluoromethoxy)-3-methoxybenzoate?
The IUPAC name of [2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl 4-(difluoromethoxy)-3-methoxybenzoate (CID 7214462) is [2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl 4-(difluoromethoxy)-3-methoxybenzoate.
What is the SMILES notation for [2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl 4-(difluoromethoxy)-3-methoxybenzoate?
The canonical SMILES for [2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl 4-(difluoromethoxy)-3-methoxybenzoate is COc1cc(C(=O)OCc2csc(-c3ccc(F)cc3)n2)ccc1OC(F)F.
What is the InChIKey of [2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl 4-(difluoromethoxy)-3-methoxybenzoate?
The InChIKey is WOBSPCXCJDNSCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F3NO4S/c1-25-16-8-12(4-7-15(16)27-19(21)22)18(24)26-9-14-10-28-17(23-14)11-2-5-13(20)6-3-11/h2-8,10,19H,9H2,1H3.
What are the key properties of [2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl 4-(difluoromethoxy)-3-methoxybenzoate?
[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl 4-(difluoromethoxy)-3-methoxybenzoate has a molecular weight of 409.39 g/mol, XLogP of 4.92, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl 4-(difluoromethoxy)-3-methoxybenzoate is sourced from PubChem (CID 7214462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).