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

C15H10BrFN4O2S — CID 86766751

IUPACN-(5-bromo-4-methyl-1,3-thiazol-2-yl)-3-fluoro-5-pyrimidin-5-yloxybenzamide
SMILESCc1nc(NC(=O)c2cc(F)cc(Oc3cncnc3)c2)sc1Br
InChIInChI=1S/C15H10BrFN4O2S/c1-8-13(16)24-15(20-8)21-14(22)9-2-10(17)4-11(3-9)23-12-5-18-7-19-6-12/h2-7H,1H3,(H,20,21,22)
InChIKeyYRZJRVLGAJFCTI-UHFFFAOYSA-N
MW409.24 g/mol
LogP4.19
Rot. Bonds4

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

N-(5-bromo-4-methyl-1,3-thiazol-2-yl)-3-fluoro-5-pyrimidin-5-yloxybenzamide (PubChem CID 86766751) has the molecular formula C15H10BrFN4O2S and a molecular weight of 409.24 g/mol. Its IUPAC name is N-(5-bromo-4-methyl-1,3-thiazol-2-yl)-3-fluoro-5-pyrimidin-5-yloxybenzamide.

Molecular Properties

Compound NameN-(5-bromo-4-methyl-1,3-thiazol-2-yl)-3-fluoro-5-pyrimidin-5-yloxybenzamide
PubChem CID86766751
Molecular FormulaC15H10BrFN4O2S
Molecular Weight409.24 g/mol
Exact Mass407.97
IUPAC NameN-(5-bromo-4-methyl-1,3-thiazol-2-yl)-3-fluoro-5-pyrimidin-5-yloxybenzamide
SMILESCc1nc(NC(=O)c2cc(F)cc(Oc3cncnc3)c2)sc1Br
InChIInChI=1S/C15H10BrFN4O2S/c1-8-13(16)24-15(20-8)21-14(22)9-2-10(17)4-11(3-9)23-12-5-18-7-19-6-12/h2-7H,1H3,(H,20,21,22)
InChIKeyYRZJRVLGAJFCTI-UHFFFAOYSA-N
XLogP4.19
TPSA77.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.24
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-4-methyl-1,3-thiazol-2-yl)-3-fluoro-5-pyrimidin-5-yloxybenzamide?
The IUPAC name of N-(5-bromo-4-methyl-1,3-thiazol-2-yl)-3-fluoro-5-pyrimidin-5-yloxybenzamide (CID 86766751) is N-(5-bromo-4-methyl-1,3-thiazol-2-yl)-3-fluoro-5-pyrimidin-5-yloxybenzamide.
What is the SMILES notation for N-(5-bromo-4-methyl-1,3-thiazol-2-yl)-3-fluoro-5-pyrimidin-5-yloxybenzamide?
The canonical SMILES for N-(5-bromo-4-methyl-1,3-thiazol-2-yl)-3-fluoro-5-pyrimidin-5-yloxybenzamide is Cc1nc(NC(=O)c2cc(F)cc(Oc3cncnc3)c2)sc1Br.
What is the InChIKey of N-(5-bromo-4-methyl-1,3-thiazol-2-yl)-3-fluoro-5-pyrimidin-5-yloxybenzamide?
The InChIKey is YRZJRVLGAJFCTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10BrFN4O2S/c1-8-13(16)24-15(20-8)21-14(22)9-2-10(17)4-11(3-9)23-12-5-18-7-19-6-12/h2-7H,1H3,(H,20,21,22).
What are the key properties of N-(5-bromo-4-methyl-1,3-thiazol-2-yl)-3-fluoro-5-pyrimidin-5-yloxybenzamide?
N-(5-bromo-4-methyl-1,3-thiazol-2-yl)-3-fluoro-5-pyrimidin-5-yloxybenzamide has a molecular weight of 409.24 g/mol, XLogP of 4.19, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-4-methyl-1,3-thiazol-2-yl)-3-fluoro-5-pyrimidin-5-yloxybenzamide is sourced from PubChem (CID 86766751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).