[2-(3-fluorophenyl)-4-methoxy-1,3-thiazol-5-yl]-pyrrol-1-ylmethanone

C15H11FN2O2S — CID 129275217

IUPAC[2-(3-fluorophenyl)-4-methoxy-1,3-thiazol-5-yl]-pyrrol-1-ylmethanone
SMILESCOc1nc(-c2cccc(F)c2)sc1C(=O)n1cccc1
InChIInChI=1S/C15H11FN2O2S/c1-20-13-12(15(19)18-7-2-3-8-18)21-14(17-13)10-5-4-6-11(16)9-10/h2-9H,1H3
InChIKeyRFSLDUDLGFOGGV-UHFFFAOYSA-N
MW302.33 g/mol
LogP3.45
Rot. Bonds3

About [2-(3-fluorophenyl)-4-methoxy-1,3-thiazol-5-yl]-pyrrol-1-ylmethanone

[2-(3-fluorophenyl)-4-methoxy-1,3-thiazol-5-yl]-pyrrol-1-ylmethanone (PubChem CID 129275217) has the molecular formula C15H11FN2O2S and a molecular weight of 302.33 g/mol. Its IUPAC name is [2-(3-fluorophenyl)-4-methoxy-1,3-thiazol-5-yl]-pyrrol-1-ylmethanone.

Molecular Properties

Compound Name[2-(3-fluorophenyl)-4-methoxy-1,3-thiazol-5-yl]-pyrrol-1-ylmethanone
PubChem CID129275217
Molecular FormulaC15H11FN2O2S
Molecular Weight302.33 g/mol
Exact Mass302.05
IUPAC Name[2-(3-fluorophenyl)-4-methoxy-1,3-thiazol-5-yl]-pyrrol-1-ylmethanone
SMILESCOc1nc(-c2cccc(F)c2)sc1C(=O)n1cccc1
InChIInChI=1S/C15H11FN2O2S/c1-20-13-12(15(19)18-7-2-3-8-18)21-14(17-13)10-5-4-6-11(16)9-10/h2-9H,1H3
InChIKeyRFSLDUDLGFOGGV-UHFFFAOYSA-N
XLogP3.45
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-(3-fluorophenyl)-4-methoxy-1,3-thiazol-5-yl]-pyrrol-1-ylmethanone?
The IUPAC name of [2-(3-fluorophenyl)-4-methoxy-1,3-thiazol-5-yl]-pyrrol-1-ylmethanone (CID 129275217) is [2-(3-fluorophenyl)-4-methoxy-1,3-thiazol-5-yl]-pyrrol-1-ylmethanone.
What is the SMILES notation for [2-(3-fluorophenyl)-4-methoxy-1,3-thiazol-5-yl]-pyrrol-1-ylmethanone?
The canonical SMILES for [2-(3-fluorophenyl)-4-methoxy-1,3-thiazol-5-yl]-pyrrol-1-ylmethanone is COc1nc(-c2cccc(F)c2)sc1C(=O)n1cccc1.
What is the InChIKey of [2-(3-fluorophenyl)-4-methoxy-1,3-thiazol-5-yl]-pyrrol-1-ylmethanone?
The InChIKey is RFSLDUDLGFOGGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11FN2O2S/c1-20-13-12(15(19)18-7-2-3-8-18)21-14(17-13)10-5-4-6-11(16)9-10/h2-9H,1H3.
What are the key properties of [2-(3-fluorophenyl)-4-methoxy-1,3-thiazol-5-yl]-pyrrol-1-ylmethanone?
[2-(3-fluorophenyl)-4-methoxy-1,3-thiazol-5-yl]-pyrrol-1-ylmethanone has a molecular weight of 302.33 g/mol, XLogP of 3.45, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-fluorophenyl)-4-methoxy-1,3-thiazol-5-yl]-pyrrol-1-ylmethanone is sourced from PubChem (CID 129275217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).