[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl thiophene-2-carboxylate

C15H10FNO2S2 — CID 8631828

IUPAC[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl thiophene-2-carboxylate
SMILESO=C(OCc1csc(-c2ccc(F)cc2)n1)c1cccs1
InChIInChI=1S/C15H10FNO2S2/c16-11-5-3-10(4-6-11)14-17-12(9-21-14)8-19-15(18)13-2-1-7-20-13/h1-7,9H,8H2
InChIKeyJZTXILPDNTYDJM-UHFFFAOYSA-N
MW319.38 g/mol
LogP4.37
Rot. Bonds4

About [2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl thiophene-2-carboxylate

[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl thiophene-2-carboxylate (PubChem CID 8631828) has the molecular formula C15H10FNO2S2 and a molecular weight of 319.38 g/mol. Its IUPAC name is [2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl thiophene-2-carboxylate.

Molecular Properties

Compound Name[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl thiophene-2-carboxylate
PubChem CID8631828
Molecular FormulaC15H10FNO2S2
Molecular Weight319.38 g/mol
Exact Mass319.01
IUPAC Name[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl thiophene-2-carboxylate
SMILESO=C(OCc1csc(-c2ccc(F)cc2)n1)c1cccs1
InChIInChI=1S/C15H10FNO2S2/c16-11-5-3-10(4-6-11)14-17-12(9-21-14)8-19-15(18)13-2-1-7-20-13/h1-7,9H,8H2
InChIKeyJZTXILPDNTYDJM-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-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl thiophene-2-carboxylate?
The IUPAC name of [2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl thiophene-2-carboxylate (CID 8631828) is [2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl thiophene-2-carboxylate.
What is the SMILES notation for [2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl thiophene-2-carboxylate?
The canonical SMILES for [2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl thiophene-2-carboxylate is O=C(OCc1csc(-c2ccc(F)cc2)n1)c1cccs1.
What is the InChIKey of [2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl thiophene-2-carboxylate?
The InChIKey is JZTXILPDNTYDJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10FNO2S2/c16-11-5-3-10(4-6-11)14-17-12(9-21-14)8-19-15(18)13-2-1-7-20-13/h1-7,9H,8H2.
What are the key properties of [2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl thiophene-2-carboxylate?
[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl thiophene-2-carboxylate 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-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl thiophene-2-carboxylate is sourced from PubChem (CID 8631828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).