1-[4-(2-fluorophenyl)-1,3-thiazol-2-yl]pyrrole-2-carbaldehyde

C14H9FN2OS — CID 3276093

IUPAC1-[4-(2-fluorophenyl)-1,3-thiazol-2-yl]pyrrole-2-carbaldehyde
SMILESO=Cc1cccn1-c1nc(-c2ccccc2F)cs1
InChIInChI=1S/C14H9FN2OS/c15-12-6-2-1-5-11(12)13-9-19-14(16-13)17-7-3-4-10(17)8-18/h1-9H
InChIKeyWBHJZJWWJYTYSQ-UHFFFAOYSA-N
MW272.30 g/mol
LogP3.55
Rot. Bonds3

About 1-[4-(2-fluorophenyl)-1,3-thiazol-2-yl]pyrrole-2-carbaldehyde

1-[4-(2-fluorophenyl)-1,3-thiazol-2-yl]pyrrole-2-carbaldehyde (PubChem CID 3276093) has the molecular formula C14H9FN2OS and a molecular weight of 272.30 g/mol. Its IUPAC name is 1-[4-(2-fluorophenyl)-1,3-thiazol-2-yl]pyrrole-2-carbaldehyde.

Molecular Properties

Compound Name1-[4-(2-fluorophenyl)-1,3-thiazol-2-yl]pyrrole-2-carbaldehyde
PubChem CID3276093
Molecular FormulaC14H9FN2OS
Molecular Weight272.30 g/mol
Exact Mass272.04
IUPAC Name1-[4-(2-fluorophenyl)-1,3-thiazol-2-yl]pyrrole-2-carbaldehyde
SMILESO=Cc1cccn1-c1nc(-c2ccccc2F)cs1
InChIInChI=1S/C14H9FN2OS/c15-12-6-2-1-5-11(12)13-9-19-14(16-13)17-7-3-4-10(17)8-18/h1-9H
InChIKeyWBHJZJWWJYTYSQ-UHFFFAOYSA-N
XLogP3.55
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-fluorophenyl)-1,3-thiazol-2-yl]pyrrole-2-carbaldehyde?
The IUPAC name of 1-[4-(2-fluorophenyl)-1,3-thiazol-2-yl]pyrrole-2-carbaldehyde (CID 3276093) is 1-[4-(2-fluorophenyl)-1,3-thiazol-2-yl]pyrrole-2-carbaldehyde.
What is the SMILES notation for 1-[4-(2-fluorophenyl)-1,3-thiazol-2-yl]pyrrole-2-carbaldehyde?
The canonical SMILES for 1-[4-(2-fluorophenyl)-1,3-thiazol-2-yl]pyrrole-2-carbaldehyde is O=Cc1cccn1-c1nc(-c2ccccc2F)cs1.
What is the InChIKey of 1-[4-(2-fluorophenyl)-1,3-thiazol-2-yl]pyrrole-2-carbaldehyde?
The InChIKey is WBHJZJWWJYTYSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9FN2OS/c15-12-6-2-1-5-11(12)13-9-19-14(16-13)17-7-3-4-10(17)8-18/h1-9H.
What are the key properties of 1-[4-(2-fluorophenyl)-1,3-thiazol-2-yl]pyrrole-2-carbaldehyde?
1-[4-(2-fluorophenyl)-1,3-thiazol-2-yl]pyrrole-2-carbaldehyde has a molecular weight of 272.30 g/mol, XLogP of 3.55, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-fluorophenyl)-1,3-thiazol-2-yl]pyrrole-2-carbaldehyde is sourced from PubChem (CID 3276093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).