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

C14H19FN6OS — CID 128971891

IUPACN-[[(2S,4S)-4-fluoro-1-[(2-methylpyrazol-3-yl)methyl]pyrrolidin-2-yl]methyl]-N-methylthiadiazole-5-carboxamide
SMILESCN(C[C@@H]1C[C@H](F)CN1Cc1ccnn1C)C(=O)c1cnns1
InChIInChI=1S/C14H19FN6OS/c1-19(14(22)13-6-16-18-23-13)8-12-5-10(15)7-21(12)9-11-3-4-17-20(11)2/h3-4,6,10,12H,5,7-9H2,1-2H3/t10-,12-/m0/s1
InChIKeyLUUNAZDKZNACGH-JQWIXIFHSA-N
MW338.41 g/mol
LogP0.96
Rot. Bonds5

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

N-[[(2S,4S)-4-fluoro-1-[(2-methylpyrazol-3-yl)methyl]pyrrolidin-2-yl]methyl]-N-methylthiadiazole-5-carboxamide (PubChem CID 128971891) has the molecular formula C14H19FN6OS and a molecular weight of 338.41 g/mol. Its IUPAC name is N-[[(2S,4S)-4-fluoro-1-[(2-methylpyrazol-3-yl)methyl]pyrrolidin-2-yl]methyl]-N-methylthiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-[[(2S,4S)-4-fluoro-1-[(2-methylpyrazol-3-yl)methyl]pyrrolidin-2-yl]methyl]-N-methylthiadiazole-5-carboxamide
PubChem CID128971891
Molecular FormulaC14H19FN6OS
Molecular Weight338.41 g/mol
Exact Mass338.13
IUPAC NameN-[[(2S,4S)-4-fluoro-1-[(2-methylpyrazol-3-yl)methyl]pyrrolidin-2-yl]methyl]-N-methylthiadiazole-5-carboxamide
SMILESCN(C[C@@H]1C[C@H](F)CN1Cc1ccnn1C)C(=O)c1cnns1
InChIInChI=1S/C14H19FN6OS/c1-19(14(22)13-6-16-18-23-13)8-12-5-10(15)7-21(12)9-11-3-4-17-20(11)2/h3-4,6,10,12H,5,7-9H2,1-2H3/t10-,12-/m0/s1
InChIKeyLUUNAZDKZNACGH-JQWIXIFHSA-N
XLogP0.96
TPSA67.15 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 50.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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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-methylthiadiazole-5-carboxamide?
The IUPAC name of N-[[(2S,4S)-4-fluoro-1-[(2-methylpyrazol-3-yl)methyl]pyrrolidin-2-yl]methyl]-N-methylthiadiazole-5-carboxamide (CID 128971891) is N-[[(2S,4S)-4-fluoro-1-[(2-methylpyrazol-3-yl)methyl]pyrrolidin-2-yl]methyl]-N-methylthiadiazole-5-carboxamide.
What is the SMILES notation for N-[[(2S,4S)-4-fluoro-1-[(2-methylpyrazol-3-yl)methyl]pyrrolidin-2-yl]methyl]-N-methylthiadiazole-5-carboxamide?
The canonical SMILES for N-[[(2S,4S)-4-fluoro-1-[(2-methylpyrazol-3-yl)methyl]pyrrolidin-2-yl]methyl]-N-methylthiadiazole-5-carboxamide is CN(C[C@@H]1C[C@H](F)CN1Cc1ccnn1C)C(=O)c1cnns1.
What is the InChIKey of N-[[(2S,4S)-4-fluoro-1-[(2-methylpyrazol-3-yl)methyl]pyrrolidin-2-yl]methyl]-N-methylthiadiazole-5-carboxamide?
The InChIKey is LUUNAZDKZNACGH-JQWIXIFHSA-N. The full InChI is InChI=1S/C14H19FN6OS/c1-19(14(22)13-6-16-18-23-13)8-12-5-10(15)7-21(12)9-11-3-4-17-20(11)2/h3-4,6,10,12H,5,7-9H2,1-2H3/t10-,12-/m0/s1.
What are the key properties of N-[[(2S,4S)-4-fluoro-1-[(2-methylpyrazol-3-yl)methyl]pyrrolidin-2-yl]methyl]-N-methylthiadiazole-5-carboxamide?
N-[[(2S,4S)-4-fluoro-1-[(2-methylpyrazol-3-yl)methyl]pyrrolidin-2-yl]methyl]-N-methylthiadiazole-5-carboxamide has a molecular weight of 338.41 g/mol, XLogP of 0.96, 5 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-methylpyrazol-3-yl)methyl]pyrrolidin-2-yl]methyl]-N-methylthiadiazole-5-carboxamide is sourced from PubChem (CID 128971891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).