N-[[(2S,4S)-4-fluoro-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]methyl]-N-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)propan-1-amine

C17H26FN5OS — CID 128971547

IUPACN-[[(2S,4S)-4-fluoro-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]methyl]-N-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)propan-1-amine
SMILESCc1noc(CCCN(C)C[C@@H]2C[C@H](F)CN2Cc2csc(C)n2)n1
InChIInChI=1S/C17H26FN5OS/c1-12-19-17(24-21-12)5-4-6-22(3)10-16-7-14(18)8-23(16)9-15-11-25-13(2)20-15/h11,14,16H,4-10H2,1-3H3/t14-,16-/m0/s1
InChIKeyZPIBRCIEHNIEPC-HOCLYGCPSA-N
MW367.49 g/mol
LogP2.62
Rot. Bonds8

About N-[[(2S,4S)-4-fluoro-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]methyl]-N-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)propan-1-amine

N-[[(2S,4S)-4-fluoro-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]methyl]-N-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)propan-1-amine (PubChem CID 128971547) has the molecular formula C17H26FN5OS and a molecular weight of 367.49 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-3-(3-methyl-1,2,4-oxadiazol-5-yl)propan-1-amine.

Molecular Properties

Compound NameN-[[(2S,4S)-4-fluoro-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]methyl]-N-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)propan-1-amine
PubChem CID128971547
Molecular FormulaC17H26FN5OS
Molecular Weight367.49 g/mol
Exact Mass367.18
IUPAC NameN-[[(2S,4S)-4-fluoro-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]methyl]-N-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)propan-1-amine
SMILESCc1noc(CCCN(C)C[C@@H]2C[C@H](F)CN2Cc2csc(C)n2)n1
InChIInChI=1S/C17H26FN5OS/c1-12-19-17(24-21-12)5-4-6-22(3)10-16-7-14(18)8-23(16)9-15-11-25-13(2)20-15/h11,14,16H,4-10H2,1-3H3/t14-,16-/m0/s1
InChIKeyZPIBRCIEHNIEPC-HOCLYGCPSA-N
XLogP2.62
TPSA58.29 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.49
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze N-[[(2S,4S)-4-fluoro-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]methyl]-N-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)propan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[2-[[(2S,4S)-4-fluoro-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]methyl-methylamino]acetyl]imidazolidin-2-one
CID 128993919
N-(2,3-dihydro-1H-indol-7-ylmethyl)-1-[(2S,4S)-4-fluoro-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]-N-methylmethanamine;hydrochloride
CID 120857676
3-[[(2S,4S)-4-fluoro-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]methyl-methylamino]-5,6-dimethylpyridazine-4-carbonitrile
CID 154736953
1-[(2S,4S)-4-fluoro-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]-N-(thiophen-3-ylmethyl)methanamine
CID 128972237
1-[(2S,4S)-4-fluoro-1-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrrolidin-2-yl]-N-methyl-N-(thiadiazol-4-ylmethyl)methanamine
CID 128972455
N-[[(2S,4S)-4-fluoro-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]methyl]oxane-3-carboxamide
CID 128973167
1-[(2S,4S)-4-fluoro-1-(1,3-thiazol-2-ylmethyl)pyrrolidin-2-yl]-N-methyl-N-(thiadiazol-4-ylmethyl)methanamine
CID 128971470
N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-1-[(2S,4S)-4-fluoro-1-[(1-methylimidazol-2-yl)methyl]pyrrolidin-2-yl]-N-methylmethanamine
CID 128995248
N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-N-methyl-1-(2-methyl-1,3-thiazol-4-yl)methanamine
CID 86855997
N-[[(2S,4S)-4-fluoro-1-(1,3-thiazol-2-ylmethyl)pyrrolidin-2-yl]methyl]-N-methyl-2-pyrazol-1-ylethanamine
CID 154753737
4-[[(1R,4S,7S)-7-methoxy-2-azabicyclo[2.2.1]heptan-2-yl]methyl]-2-methyl-1,3-thiazole
CID 124803036
3-[2-[[(2S,4S)-4-fluoro-1-[(2-methylpyrazol-3-yl)methyl]pyrrolidin-2-yl]methyl-methylamino]ethyl]oxolan-2-one
CID 128966813

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-3-(3-methyl-1,2,4-oxadiazol-5-yl)propan-1-amine?
The IUPAC name of N-[[(2S,4S)-4-fluoro-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]methyl]-N-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)propan-1-amine (CID 128971547) is N-[[(2S,4S)-4-fluoro-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]methyl]-N-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)propan-1-amine.
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-3-(3-methyl-1,2,4-oxadiazol-5-yl)propan-1-amine?
The canonical SMILES for N-[[(2S,4S)-4-fluoro-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]methyl]-N-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)propan-1-amine is Cc1noc(CCCN(C)C[C@@H]2C[C@H](F)CN2Cc2csc(C)n2)n1.
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-3-(3-methyl-1,2,4-oxadiazol-5-yl)propan-1-amine?
The InChIKey is ZPIBRCIEHNIEPC-HOCLYGCPSA-N. The full InChI is InChI=1S/C17H26FN5OS/c1-12-19-17(24-21-12)5-4-6-22(3)10-16-7-14(18)8-23(16)9-15-11-25-13(2)20-15/h11,14,16H,4-10H2,1-3H3/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]-N-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)propan-1-amine?
N-[[(2S,4S)-4-fluoro-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]methyl]-N-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)propan-1-amine has a molecular weight of 367.49 g/mol, XLogP of 2.62, 8 rotatable bonds, 0 hydrogen bond donors, and 7 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-3-(3-methyl-1,2,4-oxadiazol-5-yl)propan-1-amine is sourced from PubChem (CID 128971547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).