N-[[(2S,4S)-4-fluoro-1-[(2-methylpyrazol-3-yl)methyl]pyrrolidin-2-yl]methyl]thiadiazole-5-carboxamide

C13H17FN6OS — CID 128968496

IUPACN-[[(2S,4S)-4-fluoro-1-[(2-methylpyrazol-3-yl)methyl]pyrrolidin-2-yl]methyl]thiadiazole-5-carboxamide
SMILESCn1nccc1CN1C[C@@H](F)C[C@H]1CNC(=O)c1cnns1
InChIInChI=1S/C13H17FN6OS/c1-19-10(2-3-17-19)8-20-7-9(14)4-11(20)5-15-13(21)12-6-16-18-22-12/h2-3,6,9,11H,4-5,7-8H2,1H3,(H,15,21)/t9-,11-/m0/s1
InChIKeyIUUSGBQHMCUMES-ONGXEEELSA-N
MW324.39 g/mol
LogP0.61
Rot. Bonds5

About N-[[(2S,4S)-4-fluoro-1-[(2-methylpyrazol-3-yl)methyl]pyrrolidin-2-yl]methyl]thiadiazole-5-carboxamide

N-[[(2S,4S)-4-fluoro-1-[(2-methylpyrazol-3-yl)methyl]pyrrolidin-2-yl]methyl]thiadiazole-5-carboxamide (PubChem CID 128968496) has the molecular formula C13H17FN6OS and a molecular weight of 324.39 g/mol. Its IUPAC name is N-[[(2S,4S)-4-fluoro-1-[(2-methylpyrazol-3-yl)methyl]pyrrolidin-2-yl]methyl]thiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-[[(2S,4S)-4-fluoro-1-[(2-methylpyrazol-3-yl)methyl]pyrrolidin-2-yl]methyl]thiadiazole-5-carboxamide
PubChem CID128968496
Molecular FormulaC13H17FN6OS
Molecular Weight324.39 g/mol
Exact Mass324.12
IUPAC NameN-[[(2S,4S)-4-fluoro-1-[(2-methylpyrazol-3-yl)methyl]pyrrolidin-2-yl]methyl]thiadiazole-5-carboxamide
SMILESCn1nccc1CN1C[C@@H](F)C[C@H]1CNC(=O)c1cnns1
InChIInChI=1S/C13H17FN6OS/c1-19-10(2-3-17-19)8-20-7-9(14)4-11(20)5-15-13(21)12-6-16-18-22-12/h2-3,6,9,11H,4-5,7-8H2,1H3,(H,15,21)/t9-,11-/m0/s1
InChIKeyIUUSGBQHMCUMES-ONGXEEELSA-N
XLogP0.61
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.39
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-methyl-N-(2-(3-(trifluoromethyl)-1H-pyrazol-1-yl)ethyl)-1,2,3-thiadiazole-5-carboxamide
CID 71808007
4-methyl-N-[(1S)-1-(1-methylpyrazol-3-yl)ethyl]thiadiazole-5-carboxamide
CID 164637939
N-cyclopentyl-4-methyl-N-{2-[3-(trifluoromethyl)-1H-pyrazol-1-yl]ethyl}-1,2,3-thiadiazole-5-carboxamide
CID 121020211
N-[[(2S,4S)-4-fluoro-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]methyl]thiadiazole-5-carboxamide
CID 128966967
1-[(2S,4S)-4-fluoro-1-[(2-methylpyrazol-3-yl)methyl]pyrrolidin-2-yl]-N-(thiadiazol-4-ylmethyl)methanamine
CID 128970002
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
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-[(2-methylpyrazol-3-yl)methyl]pyrrolidin-2-yl]methyl]-3-pyrazol-1-ylpropanamide
CID 128973370
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-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]thiadiazole-5-carboxamide
CID 47326755
[3-Methyl-5-(methylamino)-1,2-thiazol-4-yl]-[2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 56779197
N-[(2-ethylpyrazol-3-yl)methyl]-N,4-dimethyl-1,2,3-thiadiazole-5-carboxamide
CID 92589743

Frequently Asked Questions

What is the IUPAC name of N-[[(2S,4S)-4-fluoro-1-[(2-methylpyrazol-3-yl)methyl]pyrrolidin-2-yl]methyl]thiadiazole-5-carboxamide?
The IUPAC name of N-[[(2S,4S)-4-fluoro-1-[(2-methylpyrazol-3-yl)methyl]pyrrolidin-2-yl]methyl]thiadiazole-5-carboxamide (CID 128968496) is N-[[(2S,4S)-4-fluoro-1-[(2-methylpyrazol-3-yl)methyl]pyrrolidin-2-yl]methyl]thiadiazole-5-carboxamide.
What is the SMILES notation for N-[[(2S,4S)-4-fluoro-1-[(2-methylpyrazol-3-yl)methyl]pyrrolidin-2-yl]methyl]thiadiazole-5-carboxamide?
The canonical SMILES for N-[[(2S,4S)-4-fluoro-1-[(2-methylpyrazol-3-yl)methyl]pyrrolidin-2-yl]methyl]thiadiazole-5-carboxamide is Cn1nccc1CN1C[C@@H](F)C[C@H]1CNC(=O)c1cnns1.
What is the InChIKey of N-[[(2S,4S)-4-fluoro-1-[(2-methylpyrazol-3-yl)methyl]pyrrolidin-2-yl]methyl]thiadiazole-5-carboxamide?
The InChIKey is IUUSGBQHMCUMES-ONGXEEELSA-N. The full InChI is InChI=1S/C13H17FN6OS/c1-19-10(2-3-17-19)8-20-7-9(14)4-11(20)5-15-13(21)12-6-16-18-22-12/h2-3,6,9,11H,4-5,7-8H2,1H3,(H,15,21)/t9-,11-/m0/s1.
What are the key properties of N-[[(2S,4S)-4-fluoro-1-[(2-methylpyrazol-3-yl)methyl]pyrrolidin-2-yl]methyl]thiadiazole-5-carboxamide?
N-[[(2S,4S)-4-fluoro-1-[(2-methylpyrazol-3-yl)methyl]pyrrolidin-2-yl]methyl]thiadiazole-5-carboxamide has a molecular weight of 324.39 g/mol, XLogP of 0.61, 5 rotatable bonds, 1 hydrogen bond donors, and 7 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]thiadiazole-5-carboxamide is sourced from PubChem (CID 128968496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).