2-(4,6-dichloro-5-fluoropyrimidin-2-yl)-4-methyl-1,3-thiazole

C8H4Cl2FN3S — CID 104771010

IUPAC2-(4,6-dichloro-5-fluoropyrimidin-2-yl)-4-methyl-1,3-thiazole
SMILESCc1csc(-c2nc(Cl)c(F)c(Cl)n2)n1
InChIInChI=1S/C8H4Cl2FN3S/c1-3-2-15-8(12-3)7-13-5(9)4(11)6(10)14-7/h2H,1H3
InChIKeyJPQLLKBKSFXJCT-UHFFFAOYSA-N
MW264.11 g/mol
LogP3.35
Rot. Bonds1

About 2-(4,6-dichloro-5-fluoropyrimidin-2-yl)-4-methyl-1,3-thiazole

2-(4,6-dichloro-5-fluoropyrimidin-2-yl)-4-methyl-1,3-thiazole (PubChem CID 104771010) has the molecular formula C8H4Cl2FN3S and a molecular weight of 264.11 g/mol. Its IUPAC name is 2-(4,6-dichloro-5-fluoropyrimidin-2-yl)-4-methyl-1,3-thiazole.

Molecular Properties

Compound Name2-(4,6-dichloro-5-fluoropyrimidin-2-yl)-4-methyl-1,3-thiazole
PubChem CID104771010
Molecular FormulaC8H4Cl2FN3S
Molecular Weight264.11 g/mol
Exact Mass262.95
IUPAC Name2-(4,6-dichloro-5-fluoropyrimidin-2-yl)-4-methyl-1,3-thiazole
SMILESCc1csc(-c2nc(Cl)c(F)c(Cl)n2)n1
InChIInChI=1S/C8H4Cl2FN3S/c1-3-2-15-8(12-3)7-13-5(9)4(11)6(10)14-7/h2H,1H3
InChIKeyJPQLLKBKSFXJCT-UHFFFAOYSA-N
XLogP3.35
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.11
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4,6-dichloro-5-fluoropyrimidin-2-yl)-4-methyl-1,3-thiazole?
The IUPAC name of 2-(4,6-dichloro-5-fluoropyrimidin-2-yl)-4-methyl-1,3-thiazole (CID 104771010) is 2-(4,6-dichloro-5-fluoropyrimidin-2-yl)-4-methyl-1,3-thiazole.
What is the SMILES notation for 2-(4,6-dichloro-5-fluoropyrimidin-2-yl)-4-methyl-1,3-thiazole?
The canonical SMILES for 2-(4,6-dichloro-5-fluoropyrimidin-2-yl)-4-methyl-1,3-thiazole is Cc1csc(-c2nc(Cl)c(F)c(Cl)n2)n1.
What is the InChIKey of 2-(4,6-dichloro-5-fluoropyrimidin-2-yl)-4-methyl-1,3-thiazole?
The InChIKey is JPQLLKBKSFXJCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4Cl2FN3S/c1-3-2-15-8(12-3)7-13-5(9)4(11)6(10)14-7/h2H,1H3.
What are the key properties of 2-(4,6-dichloro-5-fluoropyrimidin-2-yl)-4-methyl-1,3-thiazole?
2-(4,6-dichloro-5-fluoropyrimidin-2-yl)-4-methyl-1,3-thiazole has a molecular weight of 264.11 g/mol, XLogP of 3.35, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,6-dichloro-5-fluoropyrimidin-2-yl)-4-methyl-1,3-thiazole is sourced from PubChem (CID 104771010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).