(2-anilino-1,3-thiazol-4-yl)methyl 2-fluorobenzoate

C17H13FN2O2S — CID 2366159

IUPAC(2-anilino-1,3-thiazol-4-yl)methyl 2-fluorobenzoate
SMILESO=C(OCc1csc(Nc2ccccc2)n1)c1ccccc1F
InChIInChI=1S/C17H13FN2O2S/c18-15-9-5-4-8-14(15)16(21)22-10-13-11-23-17(20-13)19-12-6-2-1-3-7-12/h1-9,11H,10H2,(H,19,20)
InChIKeyXQIWRTPGBQOMCB-UHFFFAOYSA-N
MW328.37 g/mol
LogP4.38
Rot. Bonds5

About (2-anilino-1,3-thiazol-4-yl)methyl 2-fluorobenzoate

(2-anilino-1,3-thiazol-4-yl)methyl 2-fluorobenzoate (PubChem CID 2366159) has the molecular formula C17H13FN2O2S and a molecular weight of 328.37 g/mol. Its IUPAC name is (2-anilino-1,3-thiazol-4-yl)methyl 2-fluorobenzoate.

Molecular Properties

Compound Name(2-anilino-1,3-thiazol-4-yl)methyl 2-fluorobenzoate
PubChem CID2366159
Molecular FormulaC17H13FN2O2S
Molecular Weight328.37 g/mol
Exact Mass328.07
IUPAC Name(2-anilino-1,3-thiazol-4-yl)methyl 2-fluorobenzoate
SMILESO=C(OCc1csc(Nc2ccccc2)n1)c1ccccc1F
InChIInChI=1S/C17H13FN2O2S/c18-15-9-5-4-8-14(15)16(21)22-10-13-11-23-17(20-13)19-12-6-2-1-3-7-12/h1-9,11H,10H2,(H,19,20)
InChIKeyXQIWRTPGBQOMCB-UHFFFAOYSA-N
XLogP4.38
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2-anilino-1,3-thiazol-4-yl)methyl 2-fluorobenzoate?
The IUPAC name of (2-anilino-1,3-thiazol-4-yl)methyl 2-fluorobenzoate (CID 2366159) is (2-anilino-1,3-thiazol-4-yl)methyl 2-fluorobenzoate.
What is the SMILES notation for (2-anilino-1,3-thiazol-4-yl)methyl 2-fluorobenzoate?
The canonical SMILES for (2-anilino-1,3-thiazol-4-yl)methyl 2-fluorobenzoate is O=C(OCc1csc(Nc2ccccc2)n1)c1ccccc1F.
What is the InChIKey of (2-anilino-1,3-thiazol-4-yl)methyl 2-fluorobenzoate?
The InChIKey is XQIWRTPGBQOMCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13FN2O2S/c18-15-9-5-4-8-14(15)16(21)22-10-13-11-23-17(20-13)19-12-6-2-1-3-7-12/h1-9,11H,10H2,(H,19,20).
What are the key properties of (2-anilino-1,3-thiazol-4-yl)methyl 2-fluorobenzoate?
(2-anilino-1,3-thiazol-4-yl)methyl 2-fluorobenzoate has a molecular weight of 328.37 g/mol, XLogP of 4.38, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-anilino-1,3-thiazol-4-yl)methyl 2-fluorobenzoate is sourced from PubChem (CID 2366159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).