2-[4-(2-chloro-5-fluoropyrimidin-4-yl)piperazin-1-yl]-1,3-thiazole

C11H11ClFN5S — CID 79080966

IUPAC2-[4-(2-chloro-5-fluoropyrimidin-4-yl)piperazin-1-yl]-1,3-thiazole
SMILESFc1cnc(Cl)nc1N1CCN(c2nccs2)CC1
InChIInChI=1S/C11H11ClFN5S/c12-10-15-7-8(13)9(16-10)17-2-4-18(5-3-17)11-14-1-6-19-11/h1,6-7H,2-5H2
InChIKeyBETYFONWKQBFKP-UHFFFAOYSA-N
MW299.76 g/mol
LogP2.05
Rot. Bonds2

About 2-[4-(2-chloro-5-fluoropyrimidin-4-yl)piperazin-1-yl]-1,3-thiazole

2-[4-(2-chloro-5-fluoropyrimidin-4-yl)piperazin-1-yl]-1,3-thiazole (PubChem CID 79080966) has the molecular formula C11H11ClFN5S and a molecular weight of 299.76 g/mol. Its IUPAC name is 2-[4-(2-chloro-5-fluoropyrimidin-4-yl)piperazin-1-yl]-1,3-thiazole.

Molecular Properties

Compound Name2-[4-(2-chloro-5-fluoropyrimidin-4-yl)piperazin-1-yl]-1,3-thiazole
PubChem CID79080966
Molecular FormulaC11H11ClFN5S
Molecular Weight299.76 g/mol
Exact Mass299.04
IUPAC Name2-[4-(2-chloro-5-fluoropyrimidin-4-yl)piperazin-1-yl]-1,3-thiazole
SMILESFc1cnc(Cl)nc1N1CCN(c2nccs2)CC1
InChIInChI=1S/C11H11ClFN5S/c12-10-15-7-8(13)9(16-10)17-2-4-18(5-3-17)11-14-1-6-19-11/h1,6-7H,2-5H2
InChIKeyBETYFONWKQBFKP-UHFFFAOYSA-N
XLogP2.05
TPSA45.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.76
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-chloro-5-fluoropyrimidin-4-yl)piperazin-1-yl]-1,3-thiazole?
The IUPAC name of 2-[4-(2-chloro-5-fluoropyrimidin-4-yl)piperazin-1-yl]-1,3-thiazole (CID 79080966) is 2-[4-(2-chloro-5-fluoropyrimidin-4-yl)piperazin-1-yl]-1,3-thiazole.
What is the SMILES notation for 2-[4-(2-chloro-5-fluoropyrimidin-4-yl)piperazin-1-yl]-1,3-thiazole?
The canonical SMILES for 2-[4-(2-chloro-5-fluoropyrimidin-4-yl)piperazin-1-yl]-1,3-thiazole is Fc1cnc(Cl)nc1N1CCN(c2nccs2)CC1.
What is the InChIKey of 2-[4-(2-chloro-5-fluoropyrimidin-4-yl)piperazin-1-yl]-1,3-thiazole?
The InChIKey is BETYFONWKQBFKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClFN5S/c12-10-15-7-8(13)9(16-10)17-2-4-18(5-3-17)11-14-1-6-19-11/h1,6-7H,2-5H2.
What are the key properties of 2-[4-(2-chloro-5-fluoropyrimidin-4-yl)piperazin-1-yl]-1,3-thiazole?
2-[4-(2-chloro-5-fluoropyrimidin-4-yl)piperazin-1-yl]-1,3-thiazole has a molecular weight of 299.76 g/mol, XLogP of 2.05, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-chloro-5-fluoropyrimidin-4-yl)piperazin-1-yl]-1,3-thiazole is sourced from PubChem (CID 79080966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).