N-[[(2S,4S)-4-fluoro-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]methyl]-N-methyl-2-(5-oxooxolan-3-yl)acetamide

C17H24FN3O3S — CID 128991461

IUPACN-[[(2S,4S)-4-fluoro-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]methyl]-N-methyl-2-(5-oxooxolan-3-yl)acetamide
SMILESCc1nc(CN2C[C@@H](F)C[C@H]2CN(C)C(=O)CC2COC(=O)C2)cs1
InChIInChI=1S/C17H24FN3O3S/c1-11-19-14(10-25-11)7-21-6-13(18)5-15(21)8-20(2)16(22)3-12-4-17(23)24-9-12/h10,12-13,15H,3-9H2,1-2H3/t12?,13-,15-/m0/s1
InChIKeySADGIOFRTOFDDN-MHEXWIEDSA-N
MW369.46 g/mol
LogP1.78
Rot. Bonds6

About N-[[(2S,4S)-4-fluoro-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]methyl]-N-methyl-2-(5-oxooxolan-3-yl)acetamide

N-[[(2S,4S)-4-fluoro-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]methyl]-N-methyl-2-(5-oxooxolan-3-yl)acetamide (PubChem CID 128991461) has the molecular formula C17H24FN3O3S and a molecular weight of 369.46 g/mol. Its IUPAC name is N-[[(2S,4S)-4-fluoro-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]methyl]-N-methyl-2-(5-oxooxolan-3-yl)acetamide.

Molecular Properties

Compound NameN-[[(2S,4S)-4-fluoro-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]methyl]-N-methyl-2-(5-oxooxolan-3-yl)acetamide
PubChem CID128991461
Molecular FormulaC17H24FN3O3S
Molecular Weight369.46 g/mol
Exact Mass369.15
IUPAC NameN-[[(2S,4S)-4-fluoro-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]methyl]-N-methyl-2-(5-oxooxolan-3-yl)acetamide
SMILESCc1nc(CN2C[C@@H](F)C[C@H]2CN(C)C(=O)CC2COC(=O)C2)cs1
InChIInChI=1S/C17H24FN3O3S/c1-11-19-14(10-25-11)7-21-6-13(18)5-15(21)8-20(2)16(22)3-12-4-17(23)24-9-12/h10,12-13,15H,3-9H2,1-2H3/t12?,13-,15-/m0/s1
InChIKeySADGIOFRTOFDDN-MHEXWIEDSA-N
XLogP1.78
TPSA62.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.46
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N-[[(2S,4S)-4-fluoro-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]methyl]-N-methyl-2-(5-oxooxolan-3-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-[[(2S,4S)-4-fluoro-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]methyl]-N-methyl-2-(5-oxooxolan-3-yl)acetamide?
The IUPAC name of N-[[(2S,4S)-4-fluoro-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]methyl]-N-methyl-2-(5-oxooxolan-3-yl)acetamide (CID 128991461) is N-[[(2S,4S)-4-fluoro-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]methyl]-N-methyl-2-(5-oxooxolan-3-yl)acetamide.
What is the SMILES notation for N-[[(2S,4S)-4-fluoro-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]methyl]-N-methyl-2-(5-oxooxolan-3-yl)acetamide?
The canonical SMILES for N-[[(2S,4S)-4-fluoro-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]methyl]-N-methyl-2-(5-oxooxolan-3-yl)acetamide is Cc1nc(CN2C[C@@H](F)C[C@H]2CN(C)C(=O)CC2COC(=O)C2)cs1.
What is the InChIKey of N-[[(2S,4S)-4-fluoro-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]methyl]-N-methyl-2-(5-oxooxolan-3-yl)acetamide?
The InChIKey is SADGIOFRTOFDDN-MHEXWIEDSA-N. The full InChI is InChI=1S/C17H24FN3O3S/c1-11-19-14(10-25-11)7-21-6-13(18)5-15(21)8-20(2)16(22)3-12-4-17(23)24-9-12/h10,12-13,15H,3-9H2,1-2H3/t12?,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]-N-methyl-2-(5-oxooxolan-3-yl)acetamide?
N-[[(2S,4S)-4-fluoro-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]methyl]-N-methyl-2-(5-oxooxolan-3-yl)acetamide has a molecular weight of 369.46 g/mol, XLogP of 1.78, 6 rotatable bonds, 0 hydrogen bond donors, and 6 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]-N-methyl-2-(5-oxooxolan-3-yl)acetamide is sourced from PubChem (CID 128991461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).