(2,3-difluorophenyl)methyl 2-thiophen-3-yl-1,3-thiazole-4-carboxylate

C15H9F2NO2S2 — CID 17469662

IUPAC(2,3-difluorophenyl)methyl 2-thiophen-3-yl-1,3-thiazole-4-carboxylate
SMILESO=C(OCc1cccc(F)c1F)c1csc(-c2ccsc2)n1
InChIInChI=1S/C15H9F2NO2S2/c16-11-3-1-2-9(13(11)17)6-20-15(19)12-8-22-14(18-12)10-4-5-21-7-10/h1-5,7-8H,6H2
InChIKeyMUOWZUFQWCESBO-UHFFFAOYSA-N
MW337.37 g/mol
LogP4.51
Rot. Bonds4

About (2,3-difluorophenyl)methyl 2-thiophen-3-yl-1,3-thiazole-4-carboxylate

(2,3-difluorophenyl)methyl 2-thiophen-3-yl-1,3-thiazole-4-carboxylate (PubChem CID 17469662) has the molecular formula C15H9F2NO2S2 and a molecular weight of 337.37 g/mol. Its IUPAC name is (2,3-difluorophenyl)methyl 2-thiophen-3-yl-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Name(2,3-difluorophenyl)methyl 2-thiophen-3-yl-1,3-thiazole-4-carboxylate
PubChem CID17469662
Molecular FormulaC15H9F2NO2S2
Molecular Weight337.37 g/mol
Exact Mass337.00
IUPAC Name(2,3-difluorophenyl)methyl 2-thiophen-3-yl-1,3-thiazole-4-carboxylate
SMILESO=C(OCc1cccc(F)c1F)c1csc(-c2ccsc2)n1
InChIInChI=1S/C15H9F2NO2S2/c16-11-3-1-2-9(13(11)17)6-20-15(19)12-8-22-14(18-12)10-4-5-21-7-10/h1-5,7-8H,6H2
InChIKeyMUOWZUFQWCESBO-UHFFFAOYSA-N
XLogP4.51
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.37
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(3-chlorophenyl)methyl 2-thiophen-3-yl-1,3-thiazole-4-carboxylate
CID 46659444
2-oxopropyl 2-thiophen-3-yl-1,3-thiazole-4-carboxylate
CID 55426094
2-chloroprop-2-enyl 2-thiophen-3-yl-1,3-thiazole-4-carboxylate
CID 55476103
1,3-benzothiazol-2-ylmethyl 2-thiophen-3-yl-1,3-thiazole-4-carboxylate
CID 40766094
[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl 2-thiophen-3-yl-1,3-thiazole-4-carboxylate
CID 24522758
(4-imidazol-1-yl-2-methylphenyl)methyl 2-thiophen-3-yl-1,3-thiazole-4-carboxylate
CID 99795506
[2-(azocan-1-yl)-2-oxoethyl] 2-thiophen-3-yl-1,3-thiazole-4-carboxylate
CID 18122805
(4-phenylphenyl) 2-thiophen-3-yl-1,3-thiazole-4-carboxylate
CID 18271193
(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl 2-thiophen-2-yl-1,3-thiazole-4-carboxylate
CID 8977238
N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-2-thiophen-3-yl-1,3-thiazole-4-carboxamide
CID 46565546
N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-2-thiophen-3-yl-1,3-thiazole-4-carboxamide
CID 18090221
[2-(2-methylbutan-2-ylamino)-2-oxoethyl] 2-thiophen-3-yl-1,3-thiazole-4-carboxylate
CID 18122802

Frequently Asked Questions

What is the IUPAC name of (2,3-difluorophenyl)methyl 2-thiophen-3-yl-1,3-thiazole-4-carboxylate?
The IUPAC name of (2,3-difluorophenyl)methyl 2-thiophen-3-yl-1,3-thiazole-4-carboxylate (CID 17469662) is (2,3-difluorophenyl)methyl 2-thiophen-3-yl-1,3-thiazole-4-carboxylate.
What is the SMILES notation for (2,3-difluorophenyl)methyl 2-thiophen-3-yl-1,3-thiazole-4-carboxylate?
The canonical SMILES for (2,3-difluorophenyl)methyl 2-thiophen-3-yl-1,3-thiazole-4-carboxylate is O=C(OCc1cccc(F)c1F)c1csc(-c2ccsc2)n1.
What is the InChIKey of (2,3-difluorophenyl)methyl 2-thiophen-3-yl-1,3-thiazole-4-carboxylate?
The InChIKey is MUOWZUFQWCESBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9F2NO2S2/c16-11-3-1-2-9(13(11)17)6-20-15(19)12-8-22-14(18-12)10-4-5-21-7-10/h1-5,7-8H,6H2.
What are the key properties of (2,3-difluorophenyl)methyl 2-thiophen-3-yl-1,3-thiazole-4-carboxylate?
(2,3-difluorophenyl)methyl 2-thiophen-3-yl-1,3-thiazole-4-carboxylate has a molecular weight of 337.37 g/mol, XLogP of 4.51, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-difluorophenyl)methyl 2-thiophen-3-yl-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 17469662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).