N-[5-[[(2S,4R)-4-(7-fluoroquinolin-2-yl)oxy-2-methylpyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide

C20H21FN4O2S — CID 154675918

IUPACN-[5-[[(2S,4R)-4-(7-fluoroquinolin-2-yl)oxy-2-methylpyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1ncc(CN2C[C@H](Oc3ccc4ccc(F)cc4n3)C[C@@H]2C)s1
InChIInChI=1S/C20H21FN4O2S/c1-12-7-16(10-25(12)11-17-9-22-20(28-17)23-13(2)26)27-19-6-4-14-3-5-15(21)8-18(14)24-19/h3-6,8-9,12,16H,7,10-11H2,1-2H3,(H,22,23,26)/t12-,16+/m0/s1
InChIKeyHPELFHYHKLPZGK-BLLLJJGKSA-N
MW400.48 g/mol
LogP3.83
Rot. Bonds5

About N-[5-[[(2S,4R)-4-(7-fluoroquinolin-2-yl)oxy-2-methylpyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide

N-[5-[[(2S,4R)-4-(7-fluoroquinolin-2-yl)oxy-2-methylpyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide (PubChem CID 154675918) has the molecular formula C20H21FN4O2S and a molecular weight of 400.48 g/mol. Its IUPAC name is N-[5-[[(2S,4R)-4-(7-fluoroquinolin-2-yl)oxy-2-methylpyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[5-[[(2S,4R)-4-(7-fluoroquinolin-2-yl)oxy-2-methylpyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
PubChem CID154675918
Molecular FormulaC20H21FN4O2S
Molecular Weight400.48 g/mol
Exact Mass400.14
IUPAC NameN-[5-[[(2S,4R)-4-(7-fluoroquinolin-2-yl)oxy-2-methylpyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1ncc(CN2C[C@H](Oc3ccc4ccc(F)cc4n3)C[C@@H]2C)s1
InChIInChI=1S/C20H21FN4O2S/c1-12-7-16(10-25(12)11-17-9-22-20(28-17)23-13(2)26)27-19-6-4-14-3-5-15(21)8-18(14)24-19/h3-6,8-9,12,16H,7,10-11H2,1-2H3,(H,22,23,26)/t12-,16+/m0/s1
InChIKeyHPELFHYHKLPZGK-BLLLJJGKSA-N
XLogP3.83
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.48
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[5-[[(2S,4R)-4-(7-fluoroquinolin-2-yl)oxy-2-methylpyrrolidin-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-[[(2S,4R)-4-(7-fluoroquinolin-2-yl)oxy-2-methylpyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide?
The IUPAC name of N-[5-[[(2S,4R)-4-(7-fluoroquinolin-2-yl)oxy-2-methylpyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide (CID 154675918) is N-[5-[[(2S,4R)-4-(7-fluoroquinolin-2-yl)oxy-2-methylpyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for N-[5-[[(2S,4R)-4-(7-fluoroquinolin-2-yl)oxy-2-methylpyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for N-[5-[[(2S,4R)-4-(7-fluoroquinolin-2-yl)oxy-2-methylpyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide is CC(=O)Nc1ncc(CN2C[C@H](Oc3ccc4ccc(F)cc4n3)C[C@@H]2C)s1.
What is the InChIKey of N-[5-[[(2S,4R)-4-(7-fluoroquinolin-2-yl)oxy-2-methylpyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide?
The InChIKey is HPELFHYHKLPZGK-BLLLJJGKSA-N. The full InChI is InChI=1S/C20H21FN4O2S/c1-12-7-16(10-25(12)11-17-9-22-20(28-17)23-13(2)26)27-19-6-4-14-3-5-15(21)8-18(14)24-19/h3-6,8-9,12,16H,7,10-11H2,1-2H3,(H,22,23,26)/t12-,16+/m0/s1.
What are the key properties of N-[5-[[(2S,4R)-4-(7-fluoroquinolin-2-yl)oxy-2-methylpyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide?
N-[5-[[(2S,4R)-4-(7-fluoroquinolin-2-yl)oxy-2-methylpyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide has a molecular weight of 400.48 g/mol, XLogP of 3.83, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[[(2S,4R)-4-(7-fluoroquinolin-2-yl)oxy-2-methylpyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 154675918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).