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

C18H24FN3O2S — CID 128971305

IUPACN-[[(2S,4S)-4-fluoro-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]methyl]-3-(furan-2-yl)-N-methylpropanamide
SMILESCc1nc(CN2C[C@@H](F)C[C@H]2CN(C)C(=O)CCc2ccco2)cs1
InChIInChI=1S/C18H24FN3O2S/c1-13-20-15(12-25-13)10-22-9-14(19)8-16(22)11-21(2)18(23)6-5-17-4-3-7-24-17/h3-4,7,12,14,16H,5-6,8-11H2,1-2H3/t14-,16-/m0/s1
InChIKeyAJGGBFVXUSEQSH-HOCLYGCPSA-N
MW365.47 g/mol
LogP3.05
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)-N-methylpropanamide

N-[[(2S,4S)-4-fluoro-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]methyl]-3-(furan-2-yl)-N-methylpropanamide (PubChem CID 128971305) has the molecular formula C18H24FN3O2S and a molecular weight of 365.47 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-(furan-2-yl)-N-methylpropanamide.

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)-N-methylpropanamide
PubChem CID128971305
Molecular FormulaC18H24FN3O2S
Molecular Weight365.47 g/mol
Exact Mass365.16
IUPAC NameN-[[(2S,4S)-4-fluoro-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]methyl]-3-(furan-2-yl)-N-methylpropanamide
SMILESCc1nc(CN2C[C@@H](F)C[C@H]2CN(C)C(=O)CCc2ccco2)cs1
InChIInChI=1S/C18H24FN3O2S/c1-13-20-15(12-25-13)10-22-9-14(19)8-16(22)11-21(2)18(23)6-5-17-4-3-7-24-17/h3-4,7,12,14,16H,5-6,8-11H2,1-2H3/t14-,16-/m0/s1
InChIKeyAJGGBFVXUSEQSH-HOCLYGCPSA-N
XLogP3.05
TPSA49.58 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.47
LogP ≤ 53.05
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-(furan-2-yl)-N-methylpropanamide 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)-N-methylpropanamide?
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)-N-methylpropanamide (CID 128971305) is N-[[(2S,4S)-4-fluoro-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]methyl]-3-(furan-2-yl)-N-methylpropanamide.
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)-N-methylpropanamide?
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)-N-methylpropanamide is Cc1nc(CN2C[C@@H](F)C[C@H]2CN(C)C(=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)-N-methylpropanamide?
The InChIKey is AJGGBFVXUSEQSH-HOCLYGCPSA-N. The full InChI is InChI=1S/C18H24FN3O2S/c1-13-20-15(12-25-13)10-22-9-14(19)8-16(22)11-21(2)18(23)6-5-17-4-3-7-24-17/h3-4,7,12,14,16H,5-6,8-11H2,1-2H3/t14-,16-/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)-N-methylpropanamide?
N-[[(2S,4S)-4-fluoro-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]methyl]-3-(furan-2-yl)-N-methylpropanamide has a molecular weight of 365.47 g/mol, XLogP of 3.05, 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-(furan-2-yl)-N-methylpropanamide is sourced from PubChem (CID 128971305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).