1-[(2-chloro-1,3-thiazol-5-yl)methyl]-5-fluoropyrimidine-2,4-dione

C8H5ClFN3O2S — CID 79764852

IUPAC1-[(2-chloro-1,3-thiazol-5-yl)methyl]-5-fluoropyrimidine-2,4-dione
SMILESO=c1[nH]c(=O)n(Cc2cnc(Cl)s2)cc1F
InChIInChI=1S/C8H5ClFN3O2S/c9-7-11-1-4(16-7)2-13-3-5(10)6(14)12-8(13)15/h1,3H,2H2,(H,12,14,15)
InChIKeyVELYDBZBOZJWJR-UHFFFAOYSA-N
MW261.67 g/mol
LogP0.83
Rot. Bonds2

About 1-[(2-chloro-1,3-thiazol-5-yl)methyl]-5-fluoropyrimidine-2,4-dione

1-[(2-chloro-1,3-thiazol-5-yl)methyl]-5-fluoropyrimidine-2,4-dione (PubChem CID 79764852) has the molecular formula C8H5ClFN3O2S and a molecular weight of 261.67 g/mol. Its IUPAC name is 1-[(2-chloro-1,3-thiazol-5-yl)methyl]-5-fluoropyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[(2-chloro-1,3-thiazol-5-yl)methyl]-5-fluoropyrimidine-2,4-dione
PubChem CID79764852
Molecular FormulaC8H5ClFN3O2S
Molecular Weight261.67 g/mol
Exact Mass260.98
IUPAC Name1-[(2-chloro-1,3-thiazol-5-yl)methyl]-5-fluoropyrimidine-2,4-dione
SMILESO=c1[nH]c(=O)n(Cc2cnc(Cl)s2)cc1F
InChIInChI=1S/C8H5ClFN3O2S/c9-7-11-1-4(16-7)2-13-3-5(10)6(14)12-8(13)15/h1,3H,2H2,(H,12,14,15)
InChIKeyVELYDBZBOZJWJR-UHFFFAOYSA-N
XLogP0.83
TPSA67.75 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.67
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-chloro-1,3-thiazol-5-yl)methyl]-5-fluoropyrimidine-2,4-dione?
The IUPAC name of 1-[(2-chloro-1,3-thiazol-5-yl)methyl]-5-fluoropyrimidine-2,4-dione (CID 79764852) is 1-[(2-chloro-1,3-thiazol-5-yl)methyl]-5-fluoropyrimidine-2,4-dione.
What is the SMILES notation for 1-[(2-chloro-1,3-thiazol-5-yl)methyl]-5-fluoropyrimidine-2,4-dione?
The canonical SMILES for 1-[(2-chloro-1,3-thiazol-5-yl)methyl]-5-fluoropyrimidine-2,4-dione is O=c1[nH]c(=O)n(Cc2cnc(Cl)s2)cc1F.
What is the InChIKey of 1-[(2-chloro-1,3-thiazol-5-yl)methyl]-5-fluoropyrimidine-2,4-dione?
The InChIKey is VELYDBZBOZJWJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5ClFN3O2S/c9-7-11-1-4(16-7)2-13-3-5(10)6(14)12-8(13)15/h1,3H,2H2,(H,12,14,15).
What are the key properties of 1-[(2-chloro-1,3-thiazol-5-yl)methyl]-5-fluoropyrimidine-2,4-dione?
1-[(2-chloro-1,3-thiazol-5-yl)methyl]-5-fluoropyrimidine-2,4-dione has a molecular weight of 261.67 g/mol, XLogP of 0.83, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chloro-1,3-thiazol-5-yl)methyl]-5-fluoropyrimidine-2,4-dione is sourced from PubChem (CID 79764852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).