N-[[1-[[2-methyl-4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]piperidin-3-yl]methyl]pyrrolidine-2-carboxamide

C17H25F3N4OS — CID 120966650

IUPACN-[[1-[[2-methyl-4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]piperidin-3-yl]methyl]pyrrolidine-2-carboxamide
SMILESCc1nc(C(F)(F)F)c(CN2CCCC(CNC(=O)C3CCCN3)C2)s1
InChIInChI=1S/C17H25F3N4OS/c1-11-23-15(17(18,19)20)14(26-11)10-24-7-3-4-12(9-24)8-22-16(25)13-5-2-6-21-13/h12-13,21H,2-10H2,1H3,(H,22,25)
InChIKeyLUBVYHNUODYGJM-UHFFFAOYSA-N
MW390.48 g/mol
LogP2.55
Rot. Bonds5

About N-[[1-[[2-methyl-4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]piperidin-3-yl]methyl]pyrrolidine-2-carboxamide

N-[[1-[[2-methyl-4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]piperidin-3-yl]methyl]pyrrolidine-2-carboxamide (PubChem CID 120966650) has the molecular formula C17H25F3N4OS and a molecular weight of 390.48 g/mol. Its IUPAC name is N-[[1-[[2-methyl-4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]piperidin-3-yl]methyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[[1-[[2-methyl-4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]piperidin-3-yl]methyl]pyrrolidine-2-carboxamide
PubChem CID120966650
Molecular FormulaC17H25F3N4OS
Molecular Weight390.48 g/mol
Exact Mass390.17
IUPAC NameN-[[1-[[2-methyl-4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]piperidin-3-yl]methyl]pyrrolidine-2-carboxamide
SMILESCc1nc(C(F)(F)F)c(CN2CCCC(CNC(=O)C3CCCN3)C2)s1
InChIInChI=1S/C17H25F3N4OS/c1-11-23-15(17(18,19)20)14(26-11)10-24-7-3-4-12(9-24)8-22-16(25)13-5-2-6-21-13/h12-13,21H,2-10H2,1H3,(H,22,25)
InChIKeyLUBVYHNUODYGJM-UHFFFAOYSA-N
XLogP2.55
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.48
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[1-[[2-methyl-4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]piperidin-3-yl]methyl]pyrrolidine-2-carboxamide?
The IUPAC name of N-[[1-[[2-methyl-4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]piperidin-3-yl]methyl]pyrrolidine-2-carboxamide (CID 120966650) is N-[[1-[[2-methyl-4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]piperidin-3-yl]methyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for N-[[1-[[2-methyl-4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]piperidin-3-yl]methyl]pyrrolidine-2-carboxamide?
The canonical SMILES for N-[[1-[[2-methyl-4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]piperidin-3-yl]methyl]pyrrolidine-2-carboxamide is Cc1nc(C(F)(F)F)c(CN2CCCC(CNC(=O)C3CCCN3)C2)s1.
What is the InChIKey of N-[[1-[[2-methyl-4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]piperidin-3-yl]methyl]pyrrolidine-2-carboxamide?
The InChIKey is LUBVYHNUODYGJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25F3N4OS/c1-11-23-15(17(18,19)20)14(26-11)10-24-7-3-4-12(9-24)8-22-16(25)13-5-2-6-21-13/h12-13,21H,2-10H2,1H3,(H,22,25).
What are the key properties of N-[[1-[[2-methyl-4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]piperidin-3-yl]methyl]pyrrolidine-2-carboxamide?
N-[[1-[[2-methyl-4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]piperidin-3-yl]methyl]pyrrolidine-2-carboxamide has a molecular weight of 390.48 g/mol, XLogP of 2.55, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[[2-methyl-4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]piperidin-3-yl]methyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 120966650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).