3-(5-methyl-1,3-thiazol-2-yl)-5-(piperidin-4-ylmethoxy)-N-[(1R)-1-[2-(trifluoromethyl)pyrimidin-5-yl]ethyl]benzamide

C24H26F3N5O2S — CID 121397273

IUPAC3-(5-methyl-1,3-thiazol-2-yl)-5-(piperidin-4-ylmethoxy)-N-[(1R)-1-[2-(trifluoromethyl)pyrimidin-5-yl]ethyl]benzamide
SMILESCc1cnc(-c2cc(OCC3CCNCC3)cc(C(=O)N[C@H](C)c3cnc(C(F)(F)F)nc3)c2)s1
InChIInChI=1S/C24H26F3N5O2S/c1-14-10-29-22(35-14)18-7-17(8-20(9-18)34-13-16-3-5-28-6-4-16)21(33)32-15(2)19-11-30-23(31-12-19)24(25,26)27/h7-12,15-16,28H,3-6,13H2,1-2H3,(H,32,33)/t15-/m1/s1
InChIKeyKQJGGXPFMSPORJ-OAHLLOKOSA-N
MW505.57 g/mol
LogP4.80
Rot. Bonds7

About 3-(5-methyl-1,3-thiazol-2-yl)-5-(piperidin-4-ylmethoxy)-N-[(1R)-1-[2-(trifluoromethyl)pyrimidin-5-yl]ethyl]benzamide

3-(5-methyl-1,3-thiazol-2-yl)-5-(piperidin-4-ylmethoxy)-N-[(1R)-1-[2-(trifluoromethyl)pyrimidin-5-yl]ethyl]benzamide (PubChem CID 121397273) has the molecular formula C24H26F3N5O2S and a molecular weight of 505.57 g/mol. Its IUPAC name is 3-(5-methyl-1,3-thiazol-2-yl)-5-(piperidin-4-ylmethoxy)-N-[(1R)-1-[2-(trifluoromethyl)pyrimidin-5-yl]ethyl]benzamide.

Molecular Properties

Compound Name3-(5-methyl-1,3-thiazol-2-yl)-5-(piperidin-4-ylmethoxy)-N-[(1R)-1-[2-(trifluoromethyl)pyrimidin-5-yl]ethyl]benzamide
PubChem CID121397273
Molecular FormulaC24H26F3N5O2S
Molecular Weight505.57 g/mol
Exact Mass505.18
IUPAC Name3-(5-methyl-1,3-thiazol-2-yl)-5-(piperidin-4-ylmethoxy)-N-[(1R)-1-[2-(trifluoromethyl)pyrimidin-5-yl]ethyl]benzamide
SMILESCc1cnc(-c2cc(OCC3CCNCC3)cc(C(=O)N[C@H](C)c3cnc(C(F)(F)F)nc3)c2)s1
InChIInChI=1S/C24H26F3N5O2S/c1-14-10-29-22(35-14)18-7-17(8-20(9-18)34-13-16-3-5-28-6-4-16)21(33)32-15(2)19-11-30-23(31-12-19)24(25,26)27/h7-12,15-16,28H,3-6,13H2,1-2H3,(H,32,33)/t15-/m1/s1
InChIKeyKQJGGXPFMSPORJ-OAHLLOKOSA-N
XLogP4.80
TPSA89.03 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500505.57
LogP ≤ 54.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-(5-methyl-1,3-thiazol-2-yl)-5-(piperidin-4-ylmethoxy)-N-[(1R)-1-[2-(trifluoromethyl)pyrimidin-5-yl]ethyl]benzamide?
The IUPAC name of 3-(5-methyl-1,3-thiazol-2-yl)-5-(piperidin-4-ylmethoxy)-N-[(1R)-1-[2-(trifluoromethyl)pyrimidin-5-yl]ethyl]benzamide (CID 121397273) is 3-(5-methyl-1,3-thiazol-2-yl)-5-(piperidin-4-ylmethoxy)-N-[(1R)-1-[2-(trifluoromethyl)pyrimidin-5-yl]ethyl]benzamide.
What is the SMILES notation for 3-(5-methyl-1,3-thiazol-2-yl)-5-(piperidin-4-ylmethoxy)-N-[(1R)-1-[2-(trifluoromethyl)pyrimidin-5-yl]ethyl]benzamide?
The canonical SMILES for 3-(5-methyl-1,3-thiazol-2-yl)-5-(piperidin-4-ylmethoxy)-N-[(1R)-1-[2-(trifluoromethyl)pyrimidin-5-yl]ethyl]benzamide is Cc1cnc(-c2cc(OCC3CCNCC3)cc(C(=O)N[C@H](C)c3cnc(C(F)(F)F)nc3)c2)s1.
What is the InChIKey of 3-(5-methyl-1,3-thiazol-2-yl)-5-(piperidin-4-ylmethoxy)-N-[(1R)-1-[2-(trifluoromethyl)pyrimidin-5-yl]ethyl]benzamide?
The InChIKey is KQJGGXPFMSPORJ-OAHLLOKOSA-N. The full InChI is InChI=1S/C24H26F3N5O2S/c1-14-10-29-22(35-14)18-7-17(8-20(9-18)34-13-16-3-5-28-6-4-16)21(33)32-15(2)19-11-30-23(31-12-19)24(25,26)27/h7-12,15-16,28H,3-6,13H2,1-2H3,(H,32,33)/t15-/m1/s1.
What are the key properties of 3-(5-methyl-1,3-thiazol-2-yl)-5-(piperidin-4-ylmethoxy)-N-[(1R)-1-[2-(trifluoromethyl)pyrimidin-5-yl]ethyl]benzamide?
3-(5-methyl-1,3-thiazol-2-yl)-5-(piperidin-4-ylmethoxy)-N-[(1R)-1-[2-(trifluoromethyl)pyrimidin-5-yl]ethyl]benzamide has a molecular weight of 505.57 g/mol, XLogP of 4.80, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-methyl-1,3-thiazol-2-yl)-5-(piperidin-4-ylmethoxy)-N-[(1R)-1-[2-(trifluoromethyl)pyrimidin-5-yl]ethyl]benzamide is sourced from PubChem (CID 121397273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).