3-[(6-methyl-3-pyridinyl)oxy]-5-(5-methyl-1,3-thiazol-2-yl)-N-[[2-(trifluoromethyl)pyrimidin-5-yl]methyl]benzamide

C23H18F3N5O2S — CID 145096523

IUPAC3-[(6-methyl-3-pyridinyl)oxy]-5-(5-methyl-1,3-thiazol-2-yl)-N-[[2-(trifluoromethyl)pyrimidin-5-yl]methyl]benzamide
SMILESCc1ccc(Oc2cc(C(=O)NCc3cnc(C(F)(F)F)nc3)cc(-c3ncc(C)s3)c2)cn1
InChIInChI=1S/C23H18F3N5O2S/c1-13-3-4-18(12-27-13)33-19-6-16(5-17(7-19)21-29-8-14(2)34-21)20(32)28-9-15-10-30-22(31-11-15)23(24,25)26/h3-8,10-12H,9H2,1-2H3,(H,28,32)
InChIKeyPIRNEDNDUPPPNX-UHFFFAOYSA-N
MW485.49 g/mol
LogP5.35
Rot. Bonds6

About 3-[(6-methyl-3-pyridinyl)oxy]-5-(5-methyl-1,3-thiazol-2-yl)-N-[[2-(trifluoromethyl)pyrimidin-5-yl]methyl]benzamide

3-[(6-methyl-3-pyridinyl)oxy]-5-(5-methyl-1,3-thiazol-2-yl)-N-[[2-(trifluoromethyl)pyrimidin-5-yl]methyl]benzamide (PubChem CID 145096523) has the molecular formula C23H18F3N5O2S and a molecular weight of 485.49 g/mol. Its IUPAC name is 3-[(6-methyl-3-pyridinyl)oxy]-5-(5-methyl-1,3-thiazol-2-yl)-N-[[2-(trifluoromethyl)pyrimidin-5-yl]methyl]benzamide.

Molecular Properties

Compound Name3-[(6-methyl-3-pyridinyl)oxy]-5-(5-methyl-1,3-thiazol-2-yl)-N-[[2-(trifluoromethyl)pyrimidin-5-yl]methyl]benzamide
PubChem CID145096523
Molecular FormulaC23H18F3N5O2S
Molecular Weight485.49 g/mol
Exact Mass485.11
IUPAC Name3-[(6-methyl-3-pyridinyl)oxy]-5-(5-methyl-1,3-thiazol-2-yl)-N-[[2-(trifluoromethyl)pyrimidin-5-yl]methyl]benzamide
SMILESCc1ccc(Oc2cc(C(=O)NCc3cnc(C(F)(F)F)nc3)cc(-c3ncc(C)s3)c2)cn1
InChIInChI=1S/C23H18F3N5O2S/c1-13-3-4-18(12-27-13)33-19-6-16(5-17(7-19)21-29-8-14(2)34-21)20(32)28-9-15-10-30-22(31-11-15)23(24,25)26/h3-8,10-12H,9H2,1-2H3,(H,28,32)
InChIKeyPIRNEDNDUPPPNX-UHFFFAOYSA-N
XLogP5.35
TPSA89.89 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500485.49
LogP ≤ 55.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[(6-methyl-3-pyridinyl)oxy]-5-(5-methyl-1,3-thiazol-2-yl)-N-[[2-(trifluoromethyl)pyrimidin-5-yl]methyl]benzamide?
The IUPAC name of 3-[(6-methyl-3-pyridinyl)oxy]-5-(5-methyl-1,3-thiazol-2-yl)-N-[[2-(trifluoromethyl)pyrimidin-5-yl]methyl]benzamide (CID 145096523) is 3-[(6-methyl-3-pyridinyl)oxy]-5-(5-methyl-1,3-thiazol-2-yl)-N-[[2-(trifluoromethyl)pyrimidin-5-yl]methyl]benzamide.
What is the SMILES notation for 3-[(6-methyl-3-pyridinyl)oxy]-5-(5-methyl-1,3-thiazol-2-yl)-N-[[2-(trifluoromethyl)pyrimidin-5-yl]methyl]benzamide?
The canonical SMILES for 3-[(6-methyl-3-pyridinyl)oxy]-5-(5-methyl-1,3-thiazol-2-yl)-N-[[2-(trifluoromethyl)pyrimidin-5-yl]methyl]benzamide is Cc1ccc(Oc2cc(C(=O)NCc3cnc(C(F)(F)F)nc3)cc(-c3ncc(C)s3)c2)cn1.
What is the InChIKey of 3-[(6-methyl-3-pyridinyl)oxy]-5-(5-methyl-1,3-thiazol-2-yl)-N-[[2-(trifluoromethyl)pyrimidin-5-yl]methyl]benzamide?
The InChIKey is PIRNEDNDUPPPNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18F3N5O2S/c1-13-3-4-18(12-27-13)33-19-6-16(5-17(7-19)21-29-8-14(2)34-21)20(32)28-9-15-10-30-22(31-11-15)23(24,25)26/h3-8,10-12H,9H2,1-2H3,(H,28,32).
What are the key properties of 3-[(6-methyl-3-pyridinyl)oxy]-5-(5-methyl-1,3-thiazol-2-yl)-N-[[2-(trifluoromethyl)pyrimidin-5-yl]methyl]benzamide?
3-[(6-methyl-3-pyridinyl)oxy]-5-(5-methyl-1,3-thiazol-2-yl)-N-[[2-(trifluoromethyl)pyrimidin-5-yl]methyl]benzamide has a molecular weight of 485.49 g/mol, XLogP of 5.35, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-methyl-3-pyridinyl)oxy]-5-(5-methyl-1,3-thiazol-2-yl)-N-[[2-(trifluoromethyl)pyrimidin-5-yl]methyl]benzamide is sourced from PubChem (CID 145096523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).