4-[(5-fluoro-2,4-dioxopyrimidin-1-yl)methyl]-1,3-thiazole-2-carbohydrazide

C9H8FN5O3S — CID 63579073

IUPAC4-[(5-fluoro-2,4-dioxopyrimidin-1-yl)methyl]-1,3-thiazole-2-carbohydrazide
SMILESNNC(=O)c1nc(Cn2cc(F)c(=O)[nH]c2=O)cs1
InChIInChI=1S/C9H8FN5O3S/c10-5-2-15(9(18)13-6(5)16)1-4-3-19-8(12-4)7(17)14-11/h2-3H,1,11H2,(H,14,17)(H,13,16,18)
InChIKeyWYRQTPHNNMLKHX-UHFFFAOYSA-N
MW285.26 g/mol
LogP-1.22
Rot. Bonds3

About 4-[(5-fluoro-2,4-dioxopyrimidin-1-yl)methyl]-1,3-thiazole-2-carbohydrazide

4-[(5-fluoro-2,4-dioxopyrimidin-1-yl)methyl]-1,3-thiazole-2-carbohydrazide (PubChem CID 63579073) has the molecular formula C9H8FN5O3S and a molecular weight of 285.26 g/mol. Its IUPAC name is 4-[(5-fluoro-2,4-dioxopyrimidin-1-yl)methyl]-1,3-thiazole-2-carbohydrazide.

Molecular Properties

Compound Name4-[(5-fluoro-2,4-dioxopyrimidin-1-yl)methyl]-1,3-thiazole-2-carbohydrazide
PubChem CID63579073
Molecular FormulaC9H8FN5O3S
Molecular Weight285.26 g/mol
Exact Mass285.03
IUPAC Name4-[(5-fluoro-2,4-dioxopyrimidin-1-yl)methyl]-1,3-thiazole-2-carbohydrazide
SMILESNNC(=O)c1nc(Cn2cc(F)c(=O)[nH]c2=O)cs1
InChIInChI=1S/C9H8FN5O3S/c10-5-2-15(9(18)13-6(5)16)1-4-3-19-8(12-4)7(17)14-11/h2-3H,1,11H2,(H,14,17)(H,13,16,18)
InChIKeyWYRQTPHNNMLKHX-UHFFFAOYSA-N
XLogP-1.22
TPSA122.87 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.26
LogP ≤ 5-1.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[(5-fluoro-2,4-dioxopyrimidin-1-yl)methyl]-1,3-thiazole-2-carbohydrazide?
The IUPAC name of 4-[(5-fluoro-2,4-dioxopyrimidin-1-yl)methyl]-1,3-thiazole-2-carbohydrazide (CID 63579073) is 4-[(5-fluoro-2,4-dioxopyrimidin-1-yl)methyl]-1,3-thiazole-2-carbohydrazide.
What is the SMILES notation for 4-[(5-fluoro-2,4-dioxopyrimidin-1-yl)methyl]-1,3-thiazole-2-carbohydrazide?
The canonical SMILES for 4-[(5-fluoro-2,4-dioxopyrimidin-1-yl)methyl]-1,3-thiazole-2-carbohydrazide is NNC(=O)c1nc(Cn2cc(F)c(=O)[nH]c2=O)cs1.
What is the InChIKey of 4-[(5-fluoro-2,4-dioxopyrimidin-1-yl)methyl]-1,3-thiazole-2-carbohydrazide?
The InChIKey is WYRQTPHNNMLKHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8FN5O3S/c10-5-2-15(9(18)13-6(5)16)1-4-3-19-8(12-4)7(17)14-11/h2-3H,1,11H2,(H,14,17)(H,13,16,18).
What are the key properties of 4-[(5-fluoro-2,4-dioxopyrimidin-1-yl)methyl]-1,3-thiazole-2-carbohydrazide?
4-[(5-fluoro-2,4-dioxopyrimidin-1-yl)methyl]-1,3-thiazole-2-carbohydrazide has a molecular weight of 285.26 g/mol, XLogP of -1.22, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-fluoro-2,4-dioxopyrimidin-1-yl)methyl]-1,3-thiazole-2-carbohydrazide is sourced from PubChem (CID 63579073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).