N-[[(2S,4S)-4-fluoro-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]methyl]-3-methoxy-N-methylbutanamide

C16H26FN3O2S — CID 128972657

IUPACN-[[(2S,4S)-4-fluoro-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]methyl]-3-methoxy-N-methylbutanamide
SMILESCOC(C)CC(=O)N(C)C[C@@H]1C[C@H](F)CN1Cc1csc(C)n1
InChIInChI=1S/C16H26FN3O2S/c1-11(22-4)5-16(21)19(3)9-15-6-13(17)7-20(15)8-14-10-23-12(2)18-14/h10-11,13,15H,5-9H2,1-4H3/t11?,13-,15-/m0/s1
InChIKeyIXZZAJPLHCKPOE-MONRWBKMSA-N
MW343.47 g/mol
LogP2.25
Rot. Bonds7

About N-[[(2S,4S)-4-fluoro-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]methyl]-3-methoxy-N-methylbutanamide

N-[[(2S,4S)-4-fluoro-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]methyl]-3-methoxy-N-methylbutanamide (PubChem CID 128972657) has the molecular formula C16H26FN3O2S and a molecular weight of 343.47 g/mol. Its IUPAC name is N-[[(2S,4S)-4-fluoro-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]methyl]-3-methoxy-N-methylbutanamide.

Molecular Properties

Compound NameN-[[(2S,4S)-4-fluoro-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]methyl]-3-methoxy-N-methylbutanamide
PubChem CID128972657
Molecular FormulaC16H26FN3O2S
Molecular Weight343.47 g/mol
Exact Mass343.17
IUPAC NameN-[[(2S,4S)-4-fluoro-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]methyl]-3-methoxy-N-methylbutanamide
SMILESCOC(C)CC(=O)N(C)C[C@@H]1C[C@H](F)CN1Cc1csc(C)n1
InChIInChI=1S/C16H26FN3O2S/c1-11(22-4)5-16(21)19(3)9-15-6-13(17)7-20(15)8-14-10-23-12(2)18-14/h10-11,13,15H,5-9H2,1-4H3/t11?,13-,15-/m0/s1
InChIKeyIXZZAJPLHCKPOE-MONRWBKMSA-N
XLogP2.25
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.47
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-[[(2S,4S)-4-fluoro-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]methyl]-3-methoxy-N-methylbutanamide 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-[[(2S,4S)-4-fluoro-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]methyl]-3-methoxy-N-methylbutanamide?
The IUPAC name of N-[[(2S,4S)-4-fluoro-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]methyl]-3-methoxy-N-methylbutanamide (CID 128972657) is N-[[(2S,4S)-4-fluoro-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]methyl]-3-methoxy-N-methylbutanamide.
What is the SMILES notation for N-[[(2S,4S)-4-fluoro-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]methyl]-3-methoxy-N-methylbutanamide?
The canonical SMILES for N-[[(2S,4S)-4-fluoro-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]methyl]-3-methoxy-N-methylbutanamide is COC(C)CC(=O)N(C)C[C@@H]1C[C@H](F)CN1Cc1csc(C)n1.
What is the InChIKey of N-[[(2S,4S)-4-fluoro-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]methyl]-3-methoxy-N-methylbutanamide?
The InChIKey is IXZZAJPLHCKPOE-MONRWBKMSA-N. The full InChI is InChI=1S/C16H26FN3O2S/c1-11(22-4)5-16(21)19(3)9-15-6-13(17)7-20(15)8-14-10-23-12(2)18-14/h10-11,13,15H,5-9H2,1-4H3/t11?,13-,15-/m0/s1.
What are the key properties of N-[[(2S,4S)-4-fluoro-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]methyl]-3-methoxy-N-methylbutanamide?
N-[[(2S,4S)-4-fluoro-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]methyl]-3-methoxy-N-methylbutanamide has a molecular weight of 343.47 g/mol, XLogP of 2.25, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2S,4S)-4-fluoro-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]methyl]-3-methoxy-N-methylbutanamide is sourced from PubChem (CID 128972657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).