N-[[(2S,4S)-4-fluoro-1-[(2-methylpyrazol-3-yl)methyl]pyrrolidin-2-yl]methyl]-N,3-dimethyl-1,2-thiazole-4-carboxamide

C16H22FN5OS — CID 128971361

IUPACN-[[(2S,4S)-4-fluoro-1-[(2-methylpyrazol-3-yl)methyl]pyrrolidin-2-yl]methyl]-N,3-dimethyl-1,2-thiazole-4-carboxamide
SMILESCc1nscc1C(=O)N(C)C[C@@H]1C[C@H](F)CN1Cc1ccnn1C
InChIInChI=1S/C16H22FN5OS/c1-11-15(10-24-19-11)16(23)20(2)8-14-6-12(17)7-22(14)9-13-4-5-18-21(13)3/h4-5,10,12,14H,6-9H2,1-3H3/t12-,14-/m0/s1
InChIKeyLHQFIFUYQAFZNR-JSGCOSHPSA-N
MW351.45 g/mol
LogP1.87
Rot. Bonds5

About N-[[(2S,4S)-4-fluoro-1-[(2-methylpyrazol-3-yl)methyl]pyrrolidin-2-yl]methyl]-N,3-dimethyl-1,2-thiazole-4-carboxamide

N-[[(2S,4S)-4-fluoro-1-[(2-methylpyrazol-3-yl)methyl]pyrrolidin-2-yl]methyl]-N,3-dimethyl-1,2-thiazole-4-carboxamide (PubChem CID 128971361) has the molecular formula C16H22FN5OS and a molecular weight of 351.45 g/mol. Its IUPAC name is N-[[(2S,4S)-4-fluoro-1-[(2-methylpyrazol-3-yl)methyl]pyrrolidin-2-yl]methyl]-N,3-dimethyl-1,2-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[[(2S,4S)-4-fluoro-1-[(2-methylpyrazol-3-yl)methyl]pyrrolidin-2-yl]methyl]-N,3-dimethyl-1,2-thiazole-4-carboxamide
PubChem CID128971361
Molecular FormulaC16H22FN5OS
Molecular Weight351.45 g/mol
Exact Mass351.15
IUPAC NameN-[[(2S,4S)-4-fluoro-1-[(2-methylpyrazol-3-yl)methyl]pyrrolidin-2-yl]methyl]-N,3-dimethyl-1,2-thiazole-4-carboxamide
SMILESCc1nscc1C(=O)N(C)C[C@@H]1C[C@H](F)CN1Cc1ccnn1C
InChIInChI=1S/C16H22FN5OS/c1-11-15(10-24-19-11)16(23)20(2)8-14-6-12(17)7-22(14)9-13-4-5-18-21(13)3/h4-5,10,12,14H,6-9H2,1-3H3/t12-,14-/m0/s1
InChIKeyLHQFIFUYQAFZNR-JSGCOSHPSA-N
XLogP1.87
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N-[[(2S,4S)-4-fluoro-1-[(2-methylpyrazol-3-yl)methyl]pyrrolidin-2-yl]methyl]-N,3-dimethyl-1,2-thiazole-4-carboxamide with MolForge

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Related Compounds

[3-Methyl-5-(methylamino)-1,2-thiazol-4-yl]-(3-pyrazol-1-ylpiperidin-1-yl)methanone
CID 53558761
N-[[(2S,4S)-4-fluoro-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]methyl]-N-methyl-1,2-thiazole-3-carboxamide
CID 132362352
N-cyclopentyl-4-methyl-N-{2-[3-(trifluoromethyl)-1H-pyrazol-1-yl]ethyl}-1,2,3-thiadiazole-5-carboxamide
CID 121020211
(3-Methyl-1,2-thiazol-4-yl)-[3-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]methanone
CID 121531772
(3-methyl-1,2-thiazol-4-yl)-[(3S)-3-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]methanone
CID 124615168
(3-methyl-1,2-thiazol-4-yl)-[(3R)-3-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]methanone
CID 124615169
N-[[(2S,4S)-4-fluoro-1-[(2-methylpyrazol-3-yl)methyl]pyrrolidin-2-yl]methyl]thiadiazole-5-carboxamide
CID 128968496
N-[[(2S,4S)-4-fluoro-1-[(2-methylpyrazol-3-yl)methyl]pyrrolidin-2-yl]methyl]-N-methylthiadiazole-5-carboxamide
CID 128971891
N-[[(2S,4S)-4-fluoro-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]methyl]-3-methyl-1,2-thiazole-4-carboxamide
CID 128972697
N-[[(2S,4S)-4-fluoro-1-[(2-methylpyrazol-3-yl)methyl]pyrrolidin-2-yl]methyl]-3-methyl-1,2-thiazole-4-carboxamide
CID 128974627
N-[[(2S,4S)-4-fluoro-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]methyl]-N,3-dimethyl-1,2-thiazole-4-carboxamide
CID 128991117
N-[[(2S,4S)-4-fluoro-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]methyl]-N,1,3-trimethylpyrazole-4-carboxamide
CID 128994197

Frequently Asked Questions

What is the IUPAC name of N-[[(2S,4S)-4-fluoro-1-[(2-methylpyrazol-3-yl)methyl]pyrrolidin-2-yl]methyl]-N,3-dimethyl-1,2-thiazole-4-carboxamide?
The IUPAC name of N-[[(2S,4S)-4-fluoro-1-[(2-methylpyrazol-3-yl)methyl]pyrrolidin-2-yl]methyl]-N,3-dimethyl-1,2-thiazole-4-carboxamide (CID 128971361) is N-[[(2S,4S)-4-fluoro-1-[(2-methylpyrazol-3-yl)methyl]pyrrolidin-2-yl]methyl]-N,3-dimethyl-1,2-thiazole-4-carboxamide.
What is the SMILES notation for N-[[(2S,4S)-4-fluoro-1-[(2-methylpyrazol-3-yl)methyl]pyrrolidin-2-yl]methyl]-N,3-dimethyl-1,2-thiazole-4-carboxamide?
The canonical SMILES for N-[[(2S,4S)-4-fluoro-1-[(2-methylpyrazol-3-yl)methyl]pyrrolidin-2-yl]methyl]-N,3-dimethyl-1,2-thiazole-4-carboxamide is Cc1nscc1C(=O)N(C)C[C@@H]1C[C@H](F)CN1Cc1ccnn1C.
What is the InChIKey of N-[[(2S,4S)-4-fluoro-1-[(2-methylpyrazol-3-yl)methyl]pyrrolidin-2-yl]methyl]-N,3-dimethyl-1,2-thiazole-4-carboxamide?
The InChIKey is LHQFIFUYQAFZNR-JSGCOSHPSA-N. The full InChI is InChI=1S/C16H22FN5OS/c1-11-15(10-24-19-11)16(23)20(2)8-14-6-12(17)7-22(14)9-13-4-5-18-21(13)3/h4-5,10,12,14H,6-9H2,1-3H3/t12-,14-/m0/s1.
What are the key properties of N-[[(2S,4S)-4-fluoro-1-[(2-methylpyrazol-3-yl)methyl]pyrrolidin-2-yl]methyl]-N,3-dimethyl-1,2-thiazole-4-carboxamide?
N-[[(2S,4S)-4-fluoro-1-[(2-methylpyrazol-3-yl)methyl]pyrrolidin-2-yl]methyl]-N,3-dimethyl-1,2-thiazole-4-carboxamide has a molecular weight of 351.45 g/mol, XLogP of 1.87, 5 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-methylpyrazol-3-yl)methyl]pyrrolidin-2-yl]methyl]-N,3-dimethyl-1,2-thiazole-4-carboxamide is sourced from PubChem (CID 128971361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).