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

C16H22FN5OS — CID 128974265

IUPACN-[[(2S,4S)-4-fluoro-1-(1,3-thiazol-2-ylmethyl)pyrrolidin-2-yl]methyl]-N-methyl-2-(1-methylpyrazol-3-yl)acetamide
SMILESCN(C[C@@H]1C[C@H](F)CN1Cc1nccs1)C(=O)Cc1ccn(C)n1
InChIInChI=1S/C16H22FN5OS/c1-20(16(23)8-13-3-5-21(2)19-13)10-14-7-12(17)9-22(14)11-15-18-4-6-24-15/h3-6,12,14H,7-11H2,1-2H3/t12-,14-/m0/s1
InChIKeyMJSOGTVNHCCXGL-JSGCOSHPSA-N
MW351.45 g/mol
LogP1.49
Rot. Bonds6

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

N-[[(2S,4S)-4-fluoro-1-(1,3-thiazol-2-ylmethyl)pyrrolidin-2-yl]methyl]-N-methyl-2-(1-methylpyrazol-3-yl)acetamide (PubChem CID 128974265) has the molecular formula C16H22FN5OS and a molecular weight of 351.45 g/mol. Its IUPAC name is N-[[(2S,4S)-4-fluoro-1-(1,3-thiazol-2-ylmethyl)pyrrolidin-2-yl]methyl]-N-methyl-2-(1-methylpyrazol-3-yl)acetamide.

Molecular Properties

Compound NameN-[[(2S,4S)-4-fluoro-1-(1,3-thiazol-2-ylmethyl)pyrrolidin-2-yl]methyl]-N-methyl-2-(1-methylpyrazol-3-yl)acetamide
PubChem CID128974265
Molecular FormulaC16H22FN5OS
Molecular Weight351.45 g/mol
Exact Mass351.15
IUPAC NameN-[[(2S,4S)-4-fluoro-1-(1,3-thiazol-2-ylmethyl)pyrrolidin-2-yl]methyl]-N-methyl-2-(1-methylpyrazol-3-yl)acetamide
SMILESCN(C[C@@H]1C[C@H](F)CN1Cc1nccs1)C(=O)Cc1ccn(C)n1
InChIInChI=1S/C16H22FN5OS/c1-20(16(23)8-13-3-5-21(2)19-13)10-14-7-12(17)9-22(14)11-15-18-4-6-24-15/h3-6,12,14H,7-11H2,1-2H3/t12-,14-/m0/s1
InChIKeyMJSOGTVNHCCXGL-JSGCOSHPSA-N
XLogP1.49
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N-[[(2S,4S)-4-fluoro-1-(1,3-thiazol-2-ylmethyl)pyrrolidin-2-yl]methyl]-N-methyl-2-(1-methylpyrazol-3-yl)acetamide with MolForge

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Related Compounds

1-[3-(3,5-dimethyl-1H-pyrazol-1-yl)propanoyl]-2-(1,3-thiazol-2-yl)piperidine
CID 45197361
2-methyl-4-{2-oxo-2-[2-(1H-pyrazol-1-ylmethyl)-1-pyrrolidinyl]ethyl}-1,3-thiazole
CID 53603251
1-[3-(3,5-Dimethylpyrazol-1-yl)piperidin-1-yl]-3-(1,3-thiazol-2-yl)propan-1-one
CID 53620682
1-[2-[(3,5-Dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-3-(1,3-thiazol-4-yl)propan-1-one
CID 53623882
2-(2-Ethyl-1,3-thiazol-4-yl)-1-[2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]ethanone
CID 56779293
1-[2-[(3,5-Dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone
CID 56779489
1-[2-[(3,5-Dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-3-(1,3-thiazol-2-yl)propan-1-one
CID 56779575
2-[3-oxo-3-(1-pyrrolidinyl)propyl]-5-(1,3-thiazol-2-ylmethyl)-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine
CID 70761394
2-(2,4-dimethyl-1,3-thiazol-5-yl)-N-methyl-N-[2-(1H-pyrazol-1-yl)ethyl]acetamide
CID 74241269
N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-N-methyl-3-(1-methyl-1H-pyrazol-5-yl)propanamide
CID 132425997
2-[5-Methyl-3-(trifluoromethyl)pyrazol-1-yl]-1-piperidin-1-yl-2-(1,3-thiazol-2-yl)ethanone
CID 142795327
N-(4-fluorophenyl)-2-(1-methylpyrazol-3-yl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]acetamide
CID 86786985

Frequently Asked Questions

What is the IUPAC name of N-[[(2S,4S)-4-fluoro-1-(1,3-thiazol-2-ylmethyl)pyrrolidin-2-yl]methyl]-N-methyl-2-(1-methylpyrazol-3-yl)acetamide?
The IUPAC name of N-[[(2S,4S)-4-fluoro-1-(1,3-thiazol-2-ylmethyl)pyrrolidin-2-yl]methyl]-N-methyl-2-(1-methylpyrazol-3-yl)acetamide (CID 128974265) is N-[[(2S,4S)-4-fluoro-1-(1,3-thiazol-2-ylmethyl)pyrrolidin-2-yl]methyl]-N-methyl-2-(1-methylpyrazol-3-yl)acetamide.
What is the SMILES notation for N-[[(2S,4S)-4-fluoro-1-(1,3-thiazol-2-ylmethyl)pyrrolidin-2-yl]methyl]-N-methyl-2-(1-methylpyrazol-3-yl)acetamide?
The canonical SMILES for N-[[(2S,4S)-4-fluoro-1-(1,3-thiazol-2-ylmethyl)pyrrolidin-2-yl]methyl]-N-methyl-2-(1-methylpyrazol-3-yl)acetamide is CN(C[C@@H]1C[C@H](F)CN1Cc1nccs1)C(=O)Cc1ccn(C)n1.
What is the InChIKey of N-[[(2S,4S)-4-fluoro-1-(1,3-thiazol-2-ylmethyl)pyrrolidin-2-yl]methyl]-N-methyl-2-(1-methylpyrazol-3-yl)acetamide?
The InChIKey is MJSOGTVNHCCXGL-JSGCOSHPSA-N. The full InChI is InChI=1S/C16H22FN5OS/c1-20(16(23)8-13-3-5-21(2)19-13)10-14-7-12(17)9-22(14)11-15-18-4-6-24-15/h3-6,12,14H,7-11H2,1-2H3/t12-,14-/m0/s1.
What are the key properties of N-[[(2S,4S)-4-fluoro-1-(1,3-thiazol-2-ylmethyl)pyrrolidin-2-yl]methyl]-N-methyl-2-(1-methylpyrazol-3-yl)acetamide?
N-[[(2S,4S)-4-fluoro-1-(1,3-thiazol-2-ylmethyl)pyrrolidin-2-yl]methyl]-N-methyl-2-(1-methylpyrazol-3-yl)acetamide has a molecular weight of 351.45 g/mol, XLogP of 1.49, 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-(1,3-thiazol-2-ylmethyl)pyrrolidin-2-yl]methyl]-N-methyl-2-(1-methylpyrazol-3-yl)acetamide is sourced from PubChem (CID 128974265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).