N-[5-[[3-[[2-methoxy-6-(trifluoromethyl)-4-pyridinyl]methyl]pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide

C18H21F3N4O2S — CID 135135233

IUPACN-[5-[[3-[[2-methoxy-6-(trifluoromethyl)-4-pyridinyl]methyl]pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
SMILESCOc1cc(CC2CCN(Cc3cnc(NC(C)=O)s3)C2)cc(C(F)(F)F)n1
InChIInChI=1S/C18H21F3N4O2S/c1-11(26)23-17-22-8-14(28-17)10-25-4-3-12(9-25)5-13-6-15(18(19,20)21)24-16(7-13)27-2/h6-8,12H,3-5,9-10H2,1-2H3,(H,22,23,26)
InChIKeyVZPWPYAGHOUEBA-UHFFFAOYSA-N
MW414.45 g/mol
LogP3.59
Rot. Bonds6

About N-[5-[[3-[[2-methoxy-6-(trifluoromethyl)-4-pyridinyl]methyl]pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide

N-[5-[[3-[[2-methoxy-6-(trifluoromethyl)-4-pyridinyl]methyl]pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide (PubChem CID 135135233) has the molecular formula C18H21F3N4O2S and a molecular weight of 414.45 g/mol. Its IUPAC name is N-[5-[[3-[[2-methoxy-6-(trifluoromethyl)-4-pyridinyl]methyl]pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[5-[[3-[[2-methoxy-6-(trifluoromethyl)-4-pyridinyl]methyl]pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
PubChem CID135135233
Molecular FormulaC18H21F3N4O2S
Molecular Weight414.45 g/mol
Exact Mass414.13
IUPAC NameN-[5-[[3-[[2-methoxy-6-(trifluoromethyl)-4-pyridinyl]methyl]pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
SMILESCOc1cc(CC2CCN(Cc3cnc(NC(C)=O)s3)C2)cc(C(F)(F)F)n1
InChIInChI=1S/C18H21F3N4O2S/c1-11(26)23-17-22-8-14(28-17)10-25-4-3-12(9-25)5-13-6-15(18(19,20)21)24-16(7-13)27-2/h6-8,12H,3-5,9-10H2,1-2H3,(H,22,23,26)
InChIKeyVZPWPYAGHOUEBA-UHFFFAOYSA-N
XLogP3.59
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.45
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[5-[[3-[[2-methoxy-6-(trifluoromethyl)-4-pyridinyl]methyl]pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[5-[[3-[[2-methoxy-6-(trifluoromethyl)-4-pyridinyl]methyl]pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide?
The IUPAC name of N-[5-[[3-[[2-methoxy-6-(trifluoromethyl)-4-pyridinyl]methyl]pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide (CID 135135233) is N-[5-[[3-[[2-methoxy-6-(trifluoromethyl)-4-pyridinyl]methyl]pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for N-[5-[[3-[[2-methoxy-6-(trifluoromethyl)-4-pyridinyl]methyl]pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for N-[5-[[3-[[2-methoxy-6-(trifluoromethyl)-4-pyridinyl]methyl]pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide is COc1cc(CC2CCN(Cc3cnc(NC(C)=O)s3)C2)cc(C(F)(F)F)n1.
What is the InChIKey of N-[5-[[3-[[2-methoxy-6-(trifluoromethyl)-4-pyridinyl]methyl]pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide?
The InChIKey is VZPWPYAGHOUEBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21F3N4O2S/c1-11(26)23-17-22-8-14(28-17)10-25-4-3-12(9-25)5-13-6-15(18(19,20)21)24-16(7-13)27-2/h6-8,12H,3-5,9-10H2,1-2H3,(H,22,23,26).
What are the key properties of N-[5-[[3-[[2-methoxy-6-(trifluoromethyl)-4-pyridinyl]methyl]pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide?
N-[5-[[3-[[2-methoxy-6-(trifluoromethyl)-4-pyridinyl]methyl]pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide has a molecular weight of 414.45 g/mol, XLogP of 3.59, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[[3-[[2-methoxy-6-(trifluoromethyl)-4-pyridinyl]methyl]pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 135135233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).