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

C15H9ClF2N4O2S — CID 51033674

IUPAC3-chloro-N-[4-(difluoromethyl)-1,3-thiazol-2-yl]-5-pyrimidin-5-yloxybenzamide
SMILESO=C(Nc1nc(C(F)F)cs1)c1cc(Cl)cc(Oc2cncnc2)c1
InChIInChI=1S/C15H9ClF2N4O2S/c16-9-1-8(2-10(3-9)24-11-4-19-7-20-5-11)14(23)22-15-21-12(6-25-15)13(17)18/h1-7,13H,(H,21,22,23)
InChIKeyRHBKFPUYOPACQF-UHFFFAOYSA-N
MW382.78 g/mol
LogP4.57
Rot. Bonds5

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

3-chloro-N-[4-(difluoromethyl)-1,3-thiazol-2-yl]-5-pyrimidin-5-yloxybenzamide (PubChem CID 51033674) has the molecular formula C15H9ClF2N4O2S and a molecular weight of 382.78 g/mol. Its IUPAC name is 3-chloro-N-[4-(difluoromethyl)-1,3-thiazol-2-yl]-5-pyrimidin-5-yloxybenzamide.

Molecular Properties

Compound Name3-chloro-N-[4-(difluoromethyl)-1,3-thiazol-2-yl]-5-pyrimidin-5-yloxybenzamide
PubChem CID51033674
Molecular FormulaC15H9ClF2N4O2S
Molecular Weight382.78 g/mol
Exact Mass382.01
IUPAC Name3-chloro-N-[4-(difluoromethyl)-1,3-thiazol-2-yl]-5-pyrimidin-5-yloxybenzamide
SMILESO=C(Nc1nc(C(F)F)cs1)c1cc(Cl)cc(Oc2cncnc2)c1
InChIInChI=1S/C15H9ClF2N4O2S/c16-9-1-8(2-10(3-9)24-11-4-19-7-20-5-11)14(23)22-15-21-12(6-25-15)13(17)18/h1-7,13H,(H,21,22,23)
InChIKeyRHBKFPUYOPACQF-UHFFFAOYSA-N
XLogP4.57
TPSA77.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.78
LogP ≤ 54.57
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-(difluoromethyl)-1,3-thiazol-2-yl]-5-pyrimidin-5-yloxybenzamide?
The IUPAC name of 3-chloro-N-[4-(difluoromethyl)-1,3-thiazol-2-yl]-5-pyrimidin-5-yloxybenzamide (CID 51033674) is 3-chloro-N-[4-(difluoromethyl)-1,3-thiazol-2-yl]-5-pyrimidin-5-yloxybenzamide.
What is the SMILES notation for 3-chloro-N-[4-(difluoromethyl)-1,3-thiazol-2-yl]-5-pyrimidin-5-yloxybenzamide?
The canonical SMILES for 3-chloro-N-[4-(difluoromethyl)-1,3-thiazol-2-yl]-5-pyrimidin-5-yloxybenzamide is O=C(Nc1nc(C(F)F)cs1)c1cc(Cl)cc(Oc2cncnc2)c1.
What is the InChIKey of 3-chloro-N-[4-(difluoromethyl)-1,3-thiazol-2-yl]-5-pyrimidin-5-yloxybenzamide?
The InChIKey is RHBKFPUYOPACQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9ClF2N4O2S/c16-9-1-8(2-10(3-9)24-11-4-19-7-20-5-11)14(23)22-15-21-12(6-25-15)13(17)18/h1-7,13H,(H,21,22,23).
What are the key properties of 3-chloro-N-[4-(difluoromethyl)-1,3-thiazol-2-yl]-5-pyrimidin-5-yloxybenzamide?
3-chloro-N-[4-(difluoromethyl)-1,3-thiazol-2-yl]-5-pyrimidin-5-yloxybenzamide has a molecular weight of 382.78 g/mol, XLogP of 4.57, 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-(difluoromethyl)-1,3-thiazol-2-yl]-5-pyrimidin-5-yloxybenzamide is sourced from PubChem (CID 51033674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).