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

C9H6Cl2FN3S — CID 80550253

IUPAC4-[(4,6-dichloro-5-fluoropyrimidin-2-yl)methyl]-2-methyl-1,3-thiazole
SMILESCc1nc(Cc2nc(Cl)c(F)c(Cl)n2)cs1
InChIInChI=1S/C9H6Cl2FN3S/c1-4-13-5(3-16-4)2-6-14-8(10)7(12)9(11)15-6/h3H,2H2,1H3
InChIKeyZALNJAHMJAIYAT-UHFFFAOYSA-N
MW278.14 g/mol
LogP3.28
Rot. Bonds2

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

4-[(4,6-dichloro-5-fluoropyrimidin-2-yl)methyl]-2-methyl-1,3-thiazole (PubChem CID 80550253) has the molecular formula C9H6Cl2FN3S and a molecular weight of 278.14 g/mol. Its IUPAC name is 4-[(4,6-dichloro-5-fluoropyrimidin-2-yl)methyl]-2-methyl-1,3-thiazole.

Molecular Properties

Compound Name4-[(4,6-dichloro-5-fluoropyrimidin-2-yl)methyl]-2-methyl-1,3-thiazole
PubChem CID80550253
Molecular FormulaC9H6Cl2FN3S
Molecular Weight278.14 g/mol
Exact Mass276.96
IUPAC Name4-[(4,6-dichloro-5-fluoropyrimidin-2-yl)methyl]-2-methyl-1,3-thiazole
SMILESCc1nc(Cc2nc(Cl)c(F)c(Cl)n2)cs1
InChIInChI=1S/C9H6Cl2FN3S/c1-4-13-5(3-16-4)2-6-14-8(10)7(12)9(11)15-6/h3H,2H2,1H3
InChIKeyZALNJAHMJAIYAT-UHFFFAOYSA-N
XLogP3.28
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.14
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(4,6-dichloro-5-fluoropyrimidin-2-yl)methyl]-2-methyl-1,3-thiazole?
The IUPAC name of 4-[(4,6-dichloro-5-fluoropyrimidin-2-yl)methyl]-2-methyl-1,3-thiazole (CID 80550253) is 4-[(4,6-dichloro-5-fluoropyrimidin-2-yl)methyl]-2-methyl-1,3-thiazole.
What is the SMILES notation for 4-[(4,6-dichloro-5-fluoropyrimidin-2-yl)methyl]-2-methyl-1,3-thiazole?
The canonical SMILES for 4-[(4,6-dichloro-5-fluoropyrimidin-2-yl)methyl]-2-methyl-1,3-thiazole is Cc1nc(Cc2nc(Cl)c(F)c(Cl)n2)cs1.
What is the InChIKey of 4-[(4,6-dichloro-5-fluoropyrimidin-2-yl)methyl]-2-methyl-1,3-thiazole?
The InChIKey is ZALNJAHMJAIYAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6Cl2FN3S/c1-4-13-5(3-16-4)2-6-14-8(10)7(12)9(11)15-6/h3H,2H2,1H3.
What are the key properties of 4-[(4,6-dichloro-5-fluoropyrimidin-2-yl)methyl]-2-methyl-1,3-thiazole?
4-[(4,6-dichloro-5-fluoropyrimidin-2-yl)methyl]-2-methyl-1,3-thiazole has a molecular weight of 278.14 g/mol, XLogP of 3.28, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4,6-dichloro-5-fluoropyrimidin-2-yl)methyl]-2-methyl-1,3-thiazole is sourced from PubChem (CID 80550253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).