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

C15H10FNO2S2 — CID 39907685

IUPAC(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl 3-fluorobenzoate
SMILESO=C(OCc1csc(-c2cccs2)n1)c1cccc(F)c1
InChIInChI=1S/C15H10FNO2S2/c16-11-4-1-3-10(7-11)15(18)19-8-12-9-21-14(17-12)13-5-2-6-20-13/h1-7,9H,8H2
InChIKeyQBSXIFDTECHKDS-UHFFFAOYSA-N
MW319.38 g/mol
LogP4.37
Rot. Bonds4

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

(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl 3-fluorobenzoate (PubChem CID 39907685) has the molecular formula C15H10FNO2S2 and a molecular weight of 319.38 g/mol. Its IUPAC name is (2-thiophen-2-yl-1,3-thiazol-4-yl)methyl 3-fluorobenzoate.

Molecular Properties

Compound Name(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl 3-fluorobenzoate
PubChem CID39907685
Molecular FormulaC15H10FNO2S2
Molecular Weight319.38 g/mol
Exact Mass319.01
IUPAC Name(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl 3-fluorobenzoate
SMILESO=C(OCc1csc(-c2cccs2)n1)c1cccc(F)c1
InChIInChI=1S/C15H10FNO2S2/c16-11-4-1-3-10(7-11)15(18)19-8-12-9-21-14(17-12)13-5-2-6-20-13/h1-7,9H,8H2
InChIKeyQBSXIFDTECHKDS-UHFFFAOYSA-N
XLogP4.37
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.38
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2-thiophen-2-yl-1,3-thiazol-4-yl)methyl 3-fluorobenzoate?
The IUPAC name of (2-thiophen-2-yl-1,3-thiazol-4-yl)methyl 3-fluorobenzoate (CID 39907685) is (2-thiophen-2-yl-1,3-thiazol-4-yl)methyl 3-fluorobenzoate.
What is the SMILES notation for (2-thiophen-2-yl-1,3-thiazol-4-yl)methyl 3-fluorobenzoate?
The canonical SMILES for (2-thiophen-2-yl-1,3-thiazol-4-yl)methyl 3-fluorobenzoate is O=C(OCc1csc(-c2cccs2)n1)c1cccc(F)c1.
What is the InChIKey of (2-thiophen-2-yl-1,3-thiazol-4-yl)methyl 3-fluorobenzoate?
The InChIKey is QBSXIFDTECHKDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10FNO2S2/c16-11-4-1-3-10(7-11)15(18)19-8-12-9-21-14(17-12)13-5-2-6-20-13/h1-7,9H,8H2.
What are the key properties of (2-thiophen-2-yl-1,3-thiazol-4-yl)methyl 3-fluorobenzoate?
(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl 3-fluorobenzoate has a molecular weight of 319.38 g/mol, XLogP of 4.37, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-thiophen-2-yl-1,3-thiazol-4-yl)methyl 3-fluorobenzoate is sourced from PubChem (CID 39907685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).