[2-(4-methylanilino)-1,3-thiazol-4-yl]methyl 2-(2-chloro-6-fluorophenyl)acetate

C19H16ClFN2O2S — CID 7664768

IUPAC[2-(4-methylanilino)-1,3-thiazol-4-yl]methyl 2-(2-chloro-6-fluorophenyl)acetate
SMILESCc1ccc(Nc2nc(COC(=O)Cc3c(F)cccc3Cl)cs2)cc1
InChIInChI=1S/C19H16ClFN2O2S/c1-12-5-7-13(8-6-12)22-19-23-14(11-26-19)10-25-18(24)9-15-16(20)3-2-4-17(15)21/h2-8,11H,9-10H2,1H3,(H,22,23)
InChIKeyHNLVZTSKUDJXAK-UHFFFAOYSA-N
MW390.87 g/mol
LogP5.27
Rot. Bonds6

About [2-(4-methylanilino)-1,3-thiazol-4-yl]methyl 2-(2-chloro-6-fluorophenyl)acetate

[2-(4-methylanilino)-1,3-thiazol-4-yl]methyl 2-(2-chloro-6-fluorophenyl)acetate (PubChem CID 7664768) has the molecular formula C19H16ClFN2O2S and a molecular weight of 390.87 g/mol. Its IUPAC name is [2-(4-methylanilino)-1,3-thiazol-4-yl]methyl 2-(2-chloro-6-fluorophenyl)acetate.

Molecular Properties

Compound Name[2-(4-methylanilino)-1,3-thiazol-4-yl]methyl 2-(2-chloro-6-fluorophenyl)acetate
PubChem CID7664768
Molecular FormulaC19H16ClFN2O2S
Molecular Weight390.87 g/mol
Exact Mass390.06
IUPAC Name[2-(4-methylanilino)-1,3-thiazol-4-yl]methyl 2-(2-chloro-6-fluorophenyl)acetate
SMILESCc1ccc(Nc2nc(COC(=O)Cc3c(F)cccc3Cl)cs2)cc1
InChIInChI=1S/C19H16ClFN2O2S/c1-12-5-7-13(8-6-12)22-19-23-14(11-26-19)10-25-18(24)9-15-16(20)3-2-4-17(15)21/h2-8,11H,9-10H2,1H3,(H,22,23)
InChIKeyHNLVZTSKUDJXAK-UHFFFAOYSA-N
XLogP5.27
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.87
LogP ≤ 55.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-(4-methylanilino)-1,3-thiazol-4-yl]methyl 2-(2-chloro-6-fluorophenyl)acetate?
The IUPAC name of [2-(4-methylanilino)-1,3-thiazol-4-yl]methyl 2-(2-chloro-6-fluorophenyl)acetate (CID 7664768) is [2-(4-methylanilino)-1,3-thiazol-4-yl]methyl 2-(2-chloro-6-fluorophenyl)acetate.
What is the SMILES notation for [2-(4-methylanilino)-1,3-thiazol-4-yl]methyl 2-(2-chloro-6-fluorophenyl)acetate?
The canonical SMILES for [2-(4-methylanilino)-1,3-thiazol-4-yl]methyl 2-(2-chloro-6-fluorophenyl)acetate is Cc1ccc(Nc2nc(COC(=O)Cc3c(F)cccc3Cl)cs2)cc1.
What is the InChIKey of [2-(4-methylanilino)-1,3-thiazol-4-yl]methyl 2-(2-chloro-6-fluorophenyl)acetate?
The InChIKey is HNLVZTSKUDJXAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClFN2O2S/c1-12-5-7-13(8-6-12)22-19-23-14(11-26-19)10-25-18(24)9-15-16(20)3-2-4-17(15)21/h2-8,11H,9-10H2,1H3,(H,22,23).
What are the key properties of [2-(4-methylanilino)-1,3-thiazol-4-yl]methyl 2-(2-chloro-6-fluorophenyl)acetate?
[2-(4-methylanilino)-1,3-thiazol-4-yl]methyl 2-(2-chloro-6-fluorophenyl)acetate has a molecular weight of 390.87 g/mol, XLogP of 5.27, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-methylanilino)-1,3-thiazol-4-yl]methyl 2-(2-chloro-6-fluorophenyl)acetate is sourced from PubChem (CID 7664768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).