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

C8H6FN3S — CID 130757779

IUPAC4-(2-fluoropyrimidin-5-yl)-2-methyl-1,3-thiazole
SMILESCc1nc(-c2cnc(F)nc2)cs1
InChIInChI=1S/C8H6FN3S/c1-5-12-7(4-13-5)6-2-10-8(9)11-3-6/h2-4H,1H3
InChIKeyCFVQICNGLFHLEO-UHFFFAOYSA-N
MW195.22 g/mol
LogP2.05
Rot. Bonds1

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

4-(2-fluoropyrimidin-5-yl)-2-methyl-1,3-thiazole (PubChem CID 130757779) has the molecular formula C8H6FN3S and a molecular weight of 195.22 g/mol. Its IUPAC name is 4-(2-fluoropyrimidin-5-yl)-2-methyl-1,3-thiazole.

Molecular Properties

Compound Name4-(2-fluoropyrimidin-5-yl)-2-methyl-1,3-thiazole
PubChem CID130757779
Molecular FormulaC8H6FN3S
Molecular Weight195.22 g/mol
Exact Mass195.03
IUPAC Name4-(2-fluoropyrimidin-5-yl)-2-methyl-1,3-thiazole
SMILESCc1nc(-c2cnc(F)nc2)cs1
InChIInChI=1S/C8H6FN3S/c1-5-12-7(4-13-5)6-2-10-8(9)11-3-6/h2-4H,1H3
InChIKeyCFVQICNGLFHLEO-UHFFFAOYSA-N
XLogP2.05
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2-fluoropyrimidin-5-yl)-2-methyl-1,3-thiazole?
The IUPAC name of 4-(2-fluoropyrimidin-5-yl)-2-methyl-1,3-thiazole (CID 130757779) is 4-(2-fluoropyrimidin-5-yl)-2-methyl-1,3-thiazole.
What is the SMILES notation for 4-(2-fluoropyrimidin-5-yl)-2-methyl-1,3-thiazole?
The canonical SMILES for 4-(2-fluoropyrimidin-5-yl)-2-methyl-1,3-thiazole is Cc1nc(-c2cnc(F)nc2)cs1.
What is the InChIKey of 4-(2-fluoropyrimidin-5-yl)-2-methyl-1,3-thiazole?
The InChIKey is CFVQICNGLFHLEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6FN3S/c1-5-12-7(4-13-5)6-2-10-8(9)11-3-6/h2-4H,1H3.
What are the key properties of 4-(2-fluoropyrimidin-5-yl)-2-methyl-1,3-thiazole?
4-(2-fluoropyrimidin-5-yl)-2-methyl-1,3-thiazole has a molecular weight of 195.22 g/mol, XLogP of 2.05, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluoropyrimidin-5-yl)-2-methyl-1,3-thiazole is sourced from PubChem (CID 130757779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).