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

C10H9ClFN3OS — CID 79080949

IUPAC5-[2-(2-chloro-5-fluoropyrimidin-4-yl)oxyethyl]-4-methyl-1,3-thiazole
SMILESCc1ncsc1CCOc1nc(Cl)ncc1F
InChIInChI=1S/C10H9ClFN3OS/c1-6-8(17-5-14-6)2-3-16-9-7(12)4-13-10(11)15-9/h4-5H,2-3H2,1H3
InChIKeyCVMHFIWZQYZJRL-UHFFFAOYSA-N
MW273.72 g/mol
LogP2.66
Rot. Bonds4

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

5-[2-(2-chloro-5-fluoropyrimidin-4-yl)oxyethyl]-4-methyl-1,3-thiazole (PubChem CID 79080949) has the molecular formula C10H9ClFN3OS and a molecular weight of 273.72 g/mol. Its IUPAC name is 5-[2-(2-chloro-5-fluoropyrimidin-4-yl)oxyethyl]-4-methyl-1,3-thiazole.

Molecular Properties

Compound Name5-[2-(2-chloro-5-fluoropyrimidin-4-yl)oxyethyl]-4-methyl-1,3-thiazole
PubChem CID79080949
Molecular FormulaC10H9ClFN3OS
Molecular Weight273.72 g/mol
Exact Mass273.01
IUPAC Name5-[2-(2-chloro-5-fluoropyrimidin-4-yl)oxyethyl]-4-methyl-1,3-thiazole
SMILESCc1ncsc1CCOc1nc(Cl)ncc1F
InChIInChI=1S/C10H9ClFN3OS/c1-6-8(17-5-14-6)2-3-16-9-7(12)4-13-10(11)15-9/h4-5H,2-3H2,1H3
InChIKeyCVMHFIWZQYZJRL-UHFFFAOYSA-N
XLogP2.66
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.72
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(2-chloro-5-fluoropyrimidin-4-yl)oxyethyl]-4-methyl-1,3-thiazole?
The IUPAC name of 5-[2-(2-chloro-5-fluoropyrimidin-4-yl)oxyethyl]-4-methyl-1,3-thiazole (CID 79080949) is 5-[2-(2-chloro-5-fluoropyrimidin-4-yl)oxyethyl]-4-methyl-1,3-thiazole.
What is the SMILES notation for 5-[2-(2-chloro-5-fluoropyrimidin-4-yl)oxyethyl]-4-methyl-1,3-thiazole?
The canonical SMILES for 5-[2-(2-chloro-5-fluoropyrimidin-4-yl)oxyethyl]-4-methyl-1,3-thiazole is Cc1ncsc1CCOc1nc(Cl)ncc1F.
What is the InChIKey of 5-[2-(2-chloro-5-fluoropyrimidin-4-yl)oxyethyl]-4-methyl-1,3-thiazole?
The InChIKey is CVMHFIWZQYZJRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClFN3OS/c1-6-8(17-5-14-6)2-3-16-9-7(12)4-13-10(11)15-9/h4-5H,2-3H2,1H3.
What are the key properties of 5-[2-(2-chloro-5-fluoropyrimidin-4-yl)oxyethyl]-4-methyl-1,3-thiazole?
5-[2-(2-chloro-5-fluoropyrimidin-4-yl)oxyethyl]-4-methyl-1,3-thiazole has a molecular weight of 273.72 g/mol, XLogP of 2.66, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(2-chloro-5-fluoropyrimidin-4-yl)oxyethyl]-4-methyl-1,3-thiazole is sourced from PubChem (CID 79080949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).