3-chloro-N-[4-(fluoromethyl)-1,3-thiazol-2-yl]-5-pyrimidin-5-yloxybenzamide

C15H10ClFN4O2S — CID 51033449

IUPAC3-chloro-N-[4-(fluoromethyl)-1,3-thiazol-2-yl]-5-pyrimidin-5-yloxybenzamide
SMILESO=C(Nc1nc(CF)cs1)c1cc(Cl)cc(Oc2cncnc2)c1
InChIInChI=1S/C15H10ClFN4O2S/c16-10-1-9(14(22)21-15-20-11(4-17)7-24-15)2-12(3-10)23-13-5-18-8-19-6-13/h1-3,5-8H,4H2,(H,20,21,22)
InChIKeyLZVLEJKOSAWKJZ-UHFFFAOYSA-N
MW364.79 g/mol
LogP4.10
Rot. Bonds5

About 3-chloro-N-[4-(fluoromethyl)-1,3-thiazol-2-yl]-5-pyrimidin-5-yloxybenzamide

3-chloro-N-[4-(fluoromethyl)-1,3-thiazol-2-yl]-5-pyrimidin-5-yloxybenzamide (PubChem CID 51033449) has the molecular formula C15H10ClFN4O2S and a molecular weight of 364.79 g/mol. Its IUPAC name is 3-chloro-N-[4-(fluoromethyl)-1,3-thiazol-2-yl]-5-pyrimidin-5-yloxybenzamide.

Molecular Properties

Compound Name3-chloro-N-[4-(fluoromethyl)-1,3-thiazol-2-yl]-5-pyrimidin-5-yloxybenzamide
PubChem CID51033449
Molecular FormulaC15H10ClFN4O2S
Molecular Weight364.79 g/mol
Exact Mass364.02
IUPAC Name3-chloro-N-[4-(fluoromethyl)-1,3-thiazol-2-yl]-5-pyrimidin-5-yloxybenzamide
SMILESO=C(Nc1nc(CF)cs1)c1cc(Cl)cc(Oc2cncnc2)c1
InChIInChI=1S/C15H10ClFN4O2S/c16-10-1-9(14(22)21-15-20-11(4-17)7-24-15)2-12(3-10)23-13-5-18-8-19-6-13/h1-3,5-8H,4H2,(H,20,21,22)
InChIKeyLZVLEJKOSAWKJZ-UHFFFAOYSA-N
XLogP4.10
TPSA77.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.79
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[4-(fluoromethyl)-1,3-thiazol-2-yl]-5-pyrimidin-5-yloxybenzamide?
The IUPAC name of 3-chloro-N-[4-(fluoromethyl)-1,3-thiazol-2-yl]-5-pyrimidin-5-yloxybenzamide (CID 51033449) is 3-chloro-N-[4-(fluoromethyl)-1,3-thiazol-2-yl]-5-pyrimidin-5-yloxybenzamide.
What is the SMILES notation for 3-chloro-N-[4-(fluoromethyl)-1,3-thiazol-2-yl]-5-pyrimidin-5-yloxybenzamide?
The canonical SMILES for 3-chloro-N-[4-(fluoromethyl)-1,3-thiazol-2-yl]-5-pyrimidin-5-yloxybenzamide is O=C(Nc1nc(CF)cs1)c1cc(Cl)cc(Oc2cncnc2)c1.
What is the InChIKey of 3-chloro-N-[4-(fluoromethyl)-1,3-thiazol-2-yl]-5-pyrimidin-5-yloxybenzamide?
The InChIKey is LZVLEJKOSAWKJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClFN4O2S/c16-10-1-9(14(22)21-15-20-11(4-17)7-24-15)2-12(3-10)23-13-5-18-8-19-6-13/h1-3,5-8H,4H2,(H,20,21,22).
What are the key properties of 3-chloro-N-[4-(fluoromethyl)-1,3-thiazol-2-yl]-5-pyrimidin-5-yloxybenzamide?
3-chloro-N-[4-(fluoromethyl)-1,3-thiazol-2-yl]-5-pyrimidin-5-yloxybenzamide has a molecular weight of 364.79 g/mol, XLogP of 4.10, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[4-(fluoromethyl)-1,3-thiazol-2-yl]-5-pyrimidin-5-yloxybenzamide is sourced from PubChem (CID 51033449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).