2-(2-fluorophenyl)sulfanylethyl 4-methyl-2-phenyl-1,3-thiazole-5-carboxylate

C19H16FNO2S2 — CID 7721283

IUPAC2-(2-fluorophenyl)sulfanylethyl 4-methyl-2-phenyl-1,3-thiazole-5-carboxylate
SMILESCc1nc(-c2ccccc2)sc1C(=O)OCCSc1ccccc1F
InChIInChI=1S/C19H16FNO2S2/c1-13-17(25-18(21-13)14-7-3-2-4-8-14)19(22)23-11-12-24-16-10-6-5-9-15(16)20/h2-10H,11-12H2,1H3
InChIKeyJFXXQUQQAODZER-UHFFFAOYSA-N
MW373.47 g/mol
LogP5.21
Rot. Bonds6

About 2-(2-fluorophenyl)sulfanylethyl 4-methyl-2-phenyl-1,3-thiazole-5-carboxylate

2-(2-fluorophenyl)sulfanylethyl 4-methyl-2-phenyl-1,3-thiazole-5-carboxylate (PubChem CID 7721283) has the molecular formula C19H16FNO2S2 and a molecular weight of 373.47 g/mol. Its IUPAC name is 2-(2-fluorophenyl)sulfanylethyl 4-methyl-2-phenyl-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Name2-(2-fluorophenyl)sulfanylethyl 4-methyl-2-phenyl-1,3-thiazole-5-carboxylate
PubChem CID7721283
Molecular FormulaC19H16FNO2S2
Molecular Weight373.47 g/mol
Exact Mass373.06
IUPAC Name2-(2-fluorophenyl)sulfanylethyl 4-methyl-2-phenyl-1,3-thiazole-5-carboxylate
SMILESCc1nc(-c2ccccc2)sc1C(=O)OCCSc1ccccc1F
InChIInChI=1S/C19H16FNO2S2/c1-13-17(25-18(21-13)14-7-3-2-4-8-14)19(22)23-11-12-24-16-10-6-5-9-15(16)20/h2-10H,11-12H2,1H3
InChIKeyJFXXQUQQAODZER-UHFFFAOYSA-N
XLogP5.21
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.47
LogP ≤ 55.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(2-chlorophenoxy)ethyl 4-methyl-2-phenyl-1,3-thiazole-5-carboxylate
CID 7721164
(4-methoxyphenyl)methyl 4-methyl-2-phenyl-1,3-thiazole-5-carboxylate
CID 16578998
[2-(4-chlorophenyl)-2-oxoethyl] 4-methyl-2-phenyl-1,3-thiazole-5-carboxylate
CID 8724399
[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl] 4-methyl-2-phenyl-1,3-thiazole-5-carboxylate
CID 7721046
[2-(4-fluoroanilino)-2-oxoethyl] 4-methyl-2-phenyl-1,3-thiazole-5-carboxylate
CID 7721000
[2-(carbamoylamino)-2-oxoethyl] 4-methyl-2-phenyl-1,3-thiazole-5-carboxylate
CID 7721088
(3-methyl-1,2,4-oxadiazol-5-yl)methyl 4-methyl-2-phenyl-1,3-thiazole-5-carboxylate
CID 18147558
[2-(2-fluoroanilino)-2-oxoethyl] 2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxylate
CID 8512198
[1-(difluoromethyl)imidazol-2-yl]methyl 4-methyl-2-phenyl-1,3-thiazole-5-carboxylate
CID 16617523
[2-oxo-2-[[(1R)-1-phenylbutyl]amino]ethyl] 4-methyl-2-phenyl-1,3-thiazole-5-carboxylate
CID 7721356
N-(2-fluorophenyl)-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide
CID 23610162
3-cyanopropyl 2-(4-chlorophenyl)-4-methyl-1,3-thiazole-5-carboxylate
CID 46574519

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)sulfanylethyl 4-methyl-2-phenyl-1,3-thiazole-5-carboxylate?
The IUPAC name of 2-(2-fluorophenyl)sulfanylethyl 4-methyl-2-phenyl-1,3-thiazole-5-carboxylate (CID 7721283) is 2-(2-fluorophenyl)sulfanylethyl 4-methyl-2-phenyl-1,3-thiazole-5-carboxylate.
What is the SMILES notation for 2-(2-fluorophenyl)sulfanylethyl 4-methyl-2-phenyl-1,3-thiazole-5-carboxylate?
The canonical SMILES for 2-(2-fluorophenyl)sulfanylethyl 4-methyl-2-phenyl-1,3-thiazole-5-carboxylate is Cc1nc(-c2ccccc2)sc1C(=O)OCCSc1ccccc1F.
What is the InChIKey of 2-(2-fluorophenyl)sulfanylethyl 4-methyl-2-phenyl-1,3-thiazole-5-carboxylate?
The InChIKey is JFXXQUQQAODZER-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FNO2S2/c1-13-17(25-18(21-13)14-7-3-2-4-8-14)19(22)23-11-12-24-16-10-6-5-9-15(16)20/h2-10H,11-12H2,1H3.
What are the key properties of 2-(2-fluorophenyl)sulfanylethyl 4-methyl-2-phenyl-1,3-thiazole-5-carboxylate?
2-(2-fluorophenyl)sulfanylethyl 4-methyl-2-phenyl-1,3-thiazole-5-carboxylate has a molecular weight of 373.47 g/mol, XLogP of 5.21, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)sulfanylethyl 4-methyl-2-phenyl-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 7721283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).