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

C17H22FN3O2S — CID 128994237

IUPACN-[[(2S,4S)-4-fluoro-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]methyl]-3-(furan-2-yl)propanamide
SMILESCc1nc(CN2C[C@@H](F)C[C@H]2CNC(=O)CCc2ccco2)cs1
InChIInChI=1S/C17H22FN3O2S/c1-12-20-14(11-24-12)10-21-9-13(18)7-15(21)8-19-17(22)5-4-16-3-2-6-23-16/h2-3,6,11,13,15H,4-5,7-10H2,1H3,(H,19,22)/t13-,15-/m0/s1
InChIKeyZYZXJIBZMCVWAP-ZFWWWQNUSA-N
MW351.45 g/mol
LogP2.71
Rot. Bonds7

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

N-[[(2S,4S)-4-fluoro-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]methyl]-3-(furan-2-yl)propanamide (PubChem CID 128994237) has the molecular formula C17H22FN3O2S and a molecular weight of 351.45 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-(furan-2-yl)propanamide.

Molecular Properties

Compound NameN-[[(2S,4S)-4-fluoro-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]methyl]-3-(furan-2-yl)propanamide
PubChem CID128994237
Molecular FormulaC17H22FN3O2S
Molecular Weight351.45 g/mol
Exact Mass351.14
IUPAC NameN-[[(2S,4S)-4-fluoro-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]methyl]-3-(furan-2-yl)propanamide
SMILESCc1nc(CN2C[C@@H](F)C[C@H]2CNC(=O)CCc2ccco2)cs1
InChIInChI=1S/C17H22FN3O2S/c1-12-20-14(11-24-12)10-21-9-13(18)7-15(21)8-19-17(22)5-4-16-3-2-6-23-16/h2-3,6,11,13,15H,4-5,7-10H2,1H3,(H,19,22)/t13-,15-/m0/s1
InChIKeyZYZXJIBZMCVWAP-ZFWWWQNUSA-N
XLogP2.71
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[[(2S,4S)-4-fluoro-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]methyl]-3-(furan-2-yl)propanamide 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-(furan-2-yl)propanamide?
The IUPAC name of N-[[(2S,4S)-4-fluoro-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]methyl]-3-(furan-2-yl)propanamide (CID 128994237) is N-[[(2S,4S)-4-fluoro-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]methyl]-3-(furan-2-yl)propanamide.
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-(furan-2-yl)propanamide?
The canonical SMILES for N-[[(2S,4S)-4-fluoro-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]methyl]-3-(furan-2-yl)propanamide is Cc1nc(CN2C[C@@H](F)C[C@H]2CNC(=O)CCc2ccco2)cs1.
What is the InChIKey of N-[[(2S,4S)-4-fluoro-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]methyl]-3-(furan-2-yl)propanamide?
The InChIKey is ZYZXJIBZMCVWAP-ZFWWWQNUSA-N. The full InChI is InChI=1S/C17H22FN3O2S/c1-12-20-14(11-24-12)10-21-9-13(18)7-15(21)8-19-17(22)5-4-16-3-2-6-23-16/h2-3,6,11,13,15H,4-5,7-10H2,1H3,(H,19,22)/t13-,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-(furan-2-yl)propanamide?
N-[[(2S,4S)-4-fluoro-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]methyl]-3-(furan-2-yl)propanamide has a molecular weight of 351.45 g/mol, XLogP of 2.71, 7 rotatable bonds, 1 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-(furan-2-yl)propanamide is sourced from PubChem (CID 128994237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).