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

C8H5ClFN3S — CID 79820608

IUPAC2-[(2-chloro-5-fluoropyrimidin-4-yl)methyl]-1,3-thiazole
SMILESFc1cnc(Cl)nc1Cc1nccs1
InChIInChI=1S/C8H5ClFN3S/c9-8-12-4-5(10)6(13-8)3-7-11-1-2-14-7/h1-2,4H,3H2
InChIKeyHWSRHLSEOYUCLX-UHFFFAOYSA-N
MW229.67 g/mol
LogP2.32
Rot. Bonds2

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

2-[(2-chloro-5-fluoropyrimidin-4-yl)methyl]-1,3-thiazole (PubChem CID 79820608) has the molecular formula C8H5ClFN3S and a molecular weight of 229.67 g/mol. Its IUPAC name is 2-[(2-chloro-5-fluoropyrimidin-4-yl)methyl]-1,3-thiazole.

Molecular Properties

Compound Name2-[(2-chloro-5-fluoropyrimidin-4-yl)methyl]-1,3-thiazole
PubChem CID79820608
Molecular FormulaC8H5ClFN3S
Molecular Weight229.67 g/mol
Exact Mass228.99
IUPAC Name2-[(2-chloro-5-fluoropyrimidin-4-yl)methyl]-1,3-thiazole
SMILESFc1cnc(Cl)nc1Cc1nccs1
InChIInChI=1S/C8H5ClFN3S/c9-8-12-4-5(10)6(13-8)3-7-11-1-2-14-7/h1-2,4H,3H2
InChIKeyHWSRHLSEOYUCLX-UHFFFAOYSA-N
XLogP2.32
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.67
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-chloro-5-fluoropyrimidin-4-yl)methyl]-1,3-thiazole?
The IUPAC name of 2-[(2-chloro-5-fluoropyrimidin-4-yl)methyl]-1,3-thiazole (CID 79820608) is 2-[(2-chloro-5-fluoropyrimidin-4-yl)methyl]-1,3-thiazole.
What is the SMILES notation for 2-[(2-chloro-5-fluoropyrimidin-4-yl)methyl]-1,3-thiazole?
The canonical SMILES for 2-[(2-chloro-5-fluoropyrimidin-4-yl)methyl]-1,3-thiazole is Fc1cnc(Cl)nc1Cc1nccs1.
What is the InChIKey of 2-[(2-chloro-5-fluoropyrimidin-4-yl)methyl]-1,3-thiazole?
The InChIKey is HWSRHLSEOYUCLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5ClFN3S/c9-8-12-4-5(10)6(13-8)3-7-11-1-2-14-7/h1-2,4H,3H2.
What are the key properties of 2-[(2-chloro-5-fluoropyrimidin-4-yl)methyl]-1,3-thiazole?
2-[(2-chloro-5-fluoropyrimidin-4-yl)methyl]-1,3-thiazole has a molecular weight of 229.67 g/mol, XLogP of 2.32, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chloro-5-fluoropyrimidin-4-yl)methyl]-1,3-thiazole is sourced from PubChem (CID 79820608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).