3-fluoro-N-(4-propyl-1,3-thiazol-2-yl)-5-pyrimidin-5-yloxybenzamide

C17H15FN4O2S — CID 73349559

IUPAC3-fluoro-N-(4-propyl-1,3-thiazol-2-yl)-5-pyrimidin-5-yloxybenzamide
SMILESCCCc1csc(NC(=O)c2cc(F)cc(Oc3cncnc3)c2)n1
InChIInChI=1S/C17H15FN4O2S/c1-2-3-13-9-25-17(21-13)22-16(23)11-4-12(18)6-14(5-11)24-15-7-19-10-20-8-15/h4-10H,2-3H2,1H3,(H,21,22,23)
InChIKeyGRDXCGZCXXWBFC-UHFFFAOYSA-N
MW358.40 g/mol
LogP4.07
Rot. Bonds6

About 3-fluoro-N-(4-propyl-1,3-thiazol-2-yl)-5-pyrimidin-5-yloxybenzamide

3-fluoro-N-(4-propyl-1,3-thiazol-2-yl)-5-pyrimidin-5-yloxybenzamide (PubChem CID 73349559) has the molecular formula C17H15FN4O2S and a molecular weight of 358.40 g/mol. Its IUPAC name is 3-fluoro-N-(4-propyl-1,3-thiazol-2-yl)-5-pyrimidin-5-yloxybenzamide.

Molecular Properties

Compound Name3-fluoro-N-(4-propyl-1,3-thiazol-2-yl)-5-pyrimidin-5-yloxybenzamide
PubChem CID73349559
Molecular FormulaC17H15FN4O2S
Molecular Weight358.40 g/mol
Exact Mass358.09
IUPAC Name3-fluoro-N-(4-propyl-1,3-thiazol-2-yl)-5-pyrimidin-5-yloxybenzamide
SMILESCCCc1csc(NC(=O)c2cc(F)cc(Oc3cncnc3)c2)n1
InChIInChI=1S/C17H15FN4O2S/c1-2-3-13-9-25-17(21-13)22-16(23)11-4-12(18)6-14(5-11)24-15-7-19-10-20-8-15/h4-10H,2-3H2,1H3,(H,21,22,23)
InChIKeyGRDXCGZCXXWBFC-UHFFFAOYSA-N
XLogP4.07
TPSA77.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.40
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-(4-propyl-1,3-thiazol-2-yl)-5-pyrimidin-5-yloxybenzamide?
The IUPAC name of 3-fluoro-N-(4-propyl-1,3-thiazol-2-yl)-5-pyrimidin-5-yloxybenzamide (CID 73349559) is 3-fluoro-N-(4-propyl-1,3-thiazol-2-yl)-5-pyrimidin-5-yloxybenzamide.
What is the SMILES notation for 3-fluoro-N-(4-propyl-1,3-thiazol-2-yl)-5-pyrimidin-5-yloxybenzamide?
The canonical SMILES for 3-fluoro-N-(4-propyl-1,3-thiazol-2-yl)-5-pyrimidin-5-yloxybenzamide is CCCc1csc(NC(=O)c2cc(F)cc(Oc3cncnc3)c2)n1.
What is the InChIKey of 3-fluoro-N-(4-propyl-1,3-thiazol-2-yl)-5-pyrimidin-5-yloxybenzamide?
The InChIKey is GRDXCGZCXXWBFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN4O2S/c1-2-3-13-9-25-17(21-13)22-16(23)11-4-12(18)6-14(5-11)24-15-7-19-10-20-8-15/h4-10H,2-3H2,1H3,(H,21,22,23).
What are the key properties of 3-fluoro-N-(4-propyl-1,3-thiazol-2-yl)-5-pyrimidin-5-yloxybenzamide?
3-fluoro-N-(4-propyl-1,3-thiazol-2-yl)-5-pyrimidin-5-yloxybenzamide has a molecular weight of 358.40 g/mol, XLogP of 4.07, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-(4-propyl-1,3-thiazol-2-yl)-5-pyrimidin-5-yloxybenzamide is sourced from PubChem (CID 73349559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).