5-(4-fluoropyrimidin-2-yl)-1,3-thiazole

C7H4FN3S — CID 164659883

IUPAC5-(4-fluoropyrimidin-2-yl)-1,3-thiazole
SMILESFc1ccnc(-c2cncs2)n1
InChIInChI=1S/C7H4FN3S/c8-6-1-2-10-7(11-6)5-3-9-4-12-5/h1-4H
InChIKeyJNXOJPKDOVAZRR-UHFFFAOYSA-N
MW181.20 g/mol
LogP1.74
Rot. Bonds1

About 5-(4-fluoropyrimidin-2-yl)-1,3-thiazole

5-(4-fluoropyrimidin-2-yl)-1,3-thiazole (PubChem CID 164659883) has the molecular formula C7H4FN3S and a molecular weight of 181.20 g/mol. Its IUPAC name is 5-(4-fluoropyrimidin-2-yl)-1,3-thiazole.

Molecular Properties

Compound Name5-(4-fluoropyrimidin-2-yl)-1,3-thiazole
PubChem CID164659883
Molecular FormulaC7H4FN3S
Molecular Weight181.20 g/mol
Exact Mass181.01
IUPAC Name5-(4-fluoropyrimidin-2-yl)-1,3-thiazole
SMILESFc1ccnc(-c2cncs2)n1
InChIInChI=1S/C7H4FN3S/c8-6-1-2-10-7(11-6)5-3-9-4-12-5/h1-4H
InChIKeyJNXOJPKDOVAZRR-UHFFFAOYSA-N
XLogP1.74
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.20
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(4-fluoropyrimidin-2-yl)-1,3-thiazole?
The IUPAC name of 5-(4-fluoropyrimidin-2-yl)-1,3-thiazole (CID 164659883) is 5-(4-fluoropyrimidin-2-yl)-1,3-thiazole.
What is the SMILES notation for 5-(4-fluoropyrimidin-2-yl)-1,3-thiazole?
The canonical SMILES for 5-(4-fluoropyrimidin-2-yl)-1,3-thiazole is Fc1ccnc(-c2cncs2)n1.
What is the InChIKey of 5-(4-fluoropyrimidin-2-yl)-1,3-thiazole?
The InChIKey is JNXOJPKDOVAZRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4FN3S/c8-6-1-2-10-7(11-6)5-3-9-4-12-5/h1-4H.
What are the key properties of 5-(4-fluoropyrimidin-2-yl)-1,3-thiazole?
5-(4-fluoropyrimidin-2-yl)-1,3-thiazole has a molecular weight of 181.20 g/mol, XLogP of 1.74, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluoropyrimidin-2-yl)-1,3-thiazole is sourced from PubChem (CID 164659883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).