[2-(N-acetylanilino)-1,3-thiazol-4-yl]methyl 2-chloro-6-fluorobenzoate

C19H14ClFN2O3S — CID 7820297

IUPAC[2-(N-acetylanilino)-1,3-thiazol-4-yl]methyl 2-chloro-6-fluorobenzoate
SMILESCC(=O)N(c1ccccc1)c1nc(COC(=O)c2c(F)cccc2Cl)cs1
InChIInChI=1S/C19H14ClFN2O3S/c1-12(24)23(14-6-3-2-4-7-14)19-22-13(11-27-19)10-26-18(25)17-15(20)8-5-9-16(17)21/h2-9,11H,10H2,1H3
InChIKeyICOOQONLRGZYOP-UHFFFAOYSA-N
MW404.85 g/mol
LogP4.98
Rot. Bonds5

About [2-(N-acetylanilino)-1,3-thiazol-4-yl]methyl 2-chloro-6-fluorobenzoate

[2-(N-acetylanilino)-1,3-thiazol-4-yl]methyl 2-chloro-6-fluorobenzoate (PubChem CID 7820297) has the molecular formula C19H14ClFN2O3S and a molecular weight of 404.85 g/mol. Its IUPAC name is [2-(N-acetylanilino)-1,3-thiazol-4-yl]methyl 2-chloro-6-fluorobenzoate.

Molecular Properties

Compound Name[2-(N-acetylanilino)-1,3-thiazol-4-yl]methyl 2-chloro-6-fluorobenzoate
PubChem CID7820297
Molecular FormulaC19H14ClFN2O3S
Molecular Weight404.85 g/mol
Exact Mass404.04
IUPAC Name[2-(N-acetylanilino)-1,3-thiazol-4-yl]methyl 2-chloro-6-fluorobenzoate
SMILESCC(=O)N(c1ccccc1)c1nc(COC(=O)c2c(F)cccc2Cl)cs1
InChIInChI=1S/C19H14ClFN2O3S/c1-12(24)23(14-6-3-2-4-7-14)19-22-13(11-27-19)10-26-18(25)17-15(20)8-5-9-16(17)21/h2-9,11H,10H2,1H3
InChIKeyICOOQONLRGZYOP-UHFFFAOYSA-N
XLogP4.98
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.85
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-(N-acetylanilino)-1,3-thiazol-4-yl]methyl 2-chloro-6-fluorobenzoate?
The IUPAC name of [2-(N-acetylanilino)-1,3-thiazol-4-yl]methyl 2-chloro-6-fluorobenzoate (CID 7820297) is [2-(N-acetylanilino)-1,3-thiazol-4-yl]methyl 2-chloro-6-fluorobenzoate.
What is the SMILES notation for [2-(N-acetylanilino)-1,3-thiazol-4-yl]methyl 2-chloro-6-fluorobenzoate?
The canonical SMILES for [2-(N-acetylanilino)-1,3-thiazol-4-yl]methyl 2-chloro-6-fluorobenzoate is CC(=O)N(c1ccccc1)c1nc(COC(=O)c2c(F)cccc2Cl)cs1.
What is the InChIKey of [2-(N-acetylanilino)-1,3-thiazol-4-yl]methyl 2-chloro-6-fluorobenzoate?
The InChIKey is ICOOQONLRGZYOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClFN2O3S/c1-12(24)23(14-6-3-2-4-7-14)19-22-13(11-27-19)10-26-18(25)17-15(20)8-5-9-16(17)21/h2-9,11H,10H2,1H3.
What are the key properties of [2-(N-acetylanilino)-1,3-thiazol-4-yl]methyl 2-chloro-6-fluorobenzoate?
[2-(N-acetylanilino)-1,3-thiazol-4-yl]methyl 2-chloro-6-fluorobenzoate has a molecular weight of 404.85 g/mol, XLogP of 4.98, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(N-acetylanilino)-1,3-thiazol-4-yl]methyl 2-chloro-6-fluorobenzoate is sourced from PubChem (CID 7820297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).