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

C16H18F3N5OS — CID 135135391

IUPACN-[5-[[3-[[6-(trifluoromethyl)pyridazin-3-yl]methyl]pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1ncc(CN2CCC(Cc3ccc(C(F)(F)F)nn3)C2)s1
InChIInChI=1S/C16H18F3N5OS/c1-10(25)21-15-20-7-13(26-15)9-24-5-4-11(8-24)6-12-2-3-14(23-22-12)16(17,18)19/h2-3,7,11H,4-6,8-9H2,1H3,(H,20,21,25)
InChIKeyPKCUCNRDCMOYIA-UHFFFAOYSA-N
MW385.42 g/mol
LogP2.97
Rot. Bonds5

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

N-[5-[[3-[[6-(trifluoromethyl)pyridazin-3-yl]methyl]pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide (PubChem CID 135135391) has the molecular formula C16H18F3N5OS and a molecular weight of 385.42 g/mol. Its IUPAC name is N-[5-[[3-[[6-(trifluoromethyl)pyridazin-3-yl]methyl]pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[5-[[3-[[6-(trifluoromethyl)pyridazin-3-yl]methyl]pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
PubChem CID135135391
Molecular FormulaC16H18F3N5OS
Molecular Weight385.42 g/mol
Exact Mass385.12
IUPAC NameN-[5-[[3-[[6-(trifluoromethyl)pyridazin-3-yl]methyl]pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1ncc(CN2CCC(Cc3ccc(C(F)(F)F)nn3)C2)s1
InChIInChI=1S/C16H18F3N5OS/c1-10(25)21-15-20-7-13(26-15)9-24-5-4-11(8-24)6-12-2-3-14(23-22-12)16(17,18)19/h2-3,7,11H,4-6,8-9H2,1H3,(H,20,21,25)
InChIKeyPKCUCNRDCMOYIA-UHFFFAOYSA-N
XLogP2.97
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.42
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[5-[[3-[[6-(trifluoromethyl)pyridazin-3-yl]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-[[6-(trifluoromethyl)pyridazin-3-yl]methyl]pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide?
The IUPAC name of N-[5-[[3-[[6-(trifluoromethyl)pyridazin-3-yl]methyl]pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide (CID 135135391) is N-[5-[[3-[[6-(trifluoromethyl)pyridazin-3-yl]methyl]pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for N-[5-[[3-[[6-(trifluoromethyl)pyridazin-3-yl]methyl]pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for N-[5-[[3-[[6-(trifluoromethyl)pyridazin-3-yl]methyl]pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide is CC(=O)Nc1ncc(CN2CCC(Cc3ccc(C(F)(F)F)nn3)C2)s1.
What is the InChIKey of N-[5-[[3-[[6-(trifluoromethyl)pyridazin-3-yl]methyl]pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide?
The InChIKey is PKCUCNRDCMOYIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F3N5OS/c1-10(25)21-15-20-7-13(26-15)9-24-5-4-11(8-24)6-12-2-3-14(23-22-12)16(17,18)19/h2-3,7,11H,4-6,8-9H2,1H3,(H,20,21,25).
What are the key properties of N-[5-[[3-[[6-(trifluoromethyl)pyridazin-3-yl]methyl]pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide?
N-[5-[[3-[[6-(trifluoromethyl)pyridazin-3-yl]methyl]pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide has a molecular weight of 385.42 g/mol, XLogP of 2.97, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[[3-[[6-(trifluoromethyl)pyridazin-3-yl]methyl]pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 135135391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).