N-[6-[(2S)-1-[(4-fluorophenyl)methyl]pyrrolidin-2-yl]pyrazin-2-yl]-1,3,4-thiadiazol-2-amine

C17H17FN6S — CID 95836155

IUPACN-[6-[(2S)-1-[(4-fluorophenyl)methyl]pyrrolidin-2-yl]pyrazin-2-yl]-1,3,4-thiadiazol-2-amine
SMILESFc1ccc(CN2CCC[C@H]2c2cncc(Nc3nncs3)n2)cc1
InChIInChI=1S/C17H17FN6S/c18-13-5-3-12(4-6-13)10-24-7-1-2-15(24)14-8-19-9-16(21-14)22-17-23-20-11-25-17/h3-6,8-9,11,15H,1-2,7,10H2,(H,21,22,23)/t15-/m0/s1
InChIKeyNLLVCESNKSYIKN-HNNXBMFYSA-N
MW356.43 g/mol
LogP3.55
Rot. Bonds5

About N-[6-[(2S)-1-[(4-fluorophenyl)methyl]pyrrolidin-2-yl]pyrazin-2-yl]-1,3,4-thiadiazol-2-amine

N-[6-[(2S)-1-[(4-fluorophenyl)methyl]pyrrolidin-2-yl]pyrazin-2-yl]-1,3,4-thiadiazol-2-amine (PubChem CID 95836155) has the molecular formula C17H17FN6S and a molecular weight of 356.43 g/mol. Its IUPAC name is N-[6-[(2S)-1-[(4-fluorophenyl)methyl]pyrrolidin-2-yl]pyrazin-2-yl]-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-[6-[(2S)-1-[(4-fluorophenyl)methyl]pyrrolidin-2-yl]pyrazin-2-yl]-1,3,4-thiadiazol-2-amine
PubChem CID95836155
Molecular FormulaC17H17FN6S
Molecular Weight356.43 g/mol
Exact Mass356.12
IUPAC NameN-[6-[(2S)-1-[(4-fluorophenyl)methyl]pyrrolidin-2-yl]pyrazin-2-yl]-1,3,4-thiadiazol-2-amine
SMILESFc1ccc(CN2CCC[C@H]2c2cncc(Nc3nncs3)n2)cc1
InChIInChI=1S/C17H17FN6S/c18-13-5-3-12(4-6-13)10-24-7-1-2-15(24)14-8-19-9-16(21-14)22-17-23-20-11-25-17/h3-6,8-9,11,15H,1-2,7,10H2,(H,21,22,23)/t15-/m0/s1
InChIKeyNLLVCESNKSYIKN-HNNXBMFYSA-N
XLogP3.55
TPSA66.83 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[6-[(2R)-1-(2-phenylethyl)pyrrolidin-2-yl]pyrazin-2-yl]-1,3,4-thiadiazol-2-amine
CID 95836178
N-[6-[(2S)-1-benzylpyrrolidin-2-yl]-2-methylpyrimidin-4-yl]-1,3,4-thiadiazol-2-amine
CID 95820339
N-[6-[(2S)-1-[(2-fluorophenyl)methyl]pyrrolidin-2-yl]pyrazin-2-yl]-5-methyl-1,3,4-thiadiazol-2-amine
CID 95836146
N-[2-methyl-6-[1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]pyrimidin-4-yl]-1,3,4-thiadiazol-2-amine
CID 110255678
5-methyl-N-[6-[1-(1,3-thiazol-2-ylmethyl)pyrrolidin-2-yl]pyrazin-2-yl]-1,3-thiazol-2-amine
CID 175659672
N-[6-[1-(pyridin-2-ylmethyl)pyrrolidin-2-yl]pyrazin-2-yl]-1,3-thiazol-2-amine
CID 175659249
4-[1-[(4-fluorophenyl)methyl]pyrrolidin-2-yl]-N-pyridin-2-ylpyrimidin-2-amine
CID 110267126
2-(2-ethylimidazol-1-yl)-6-[(2R)-1-[(4-fluorophenyl)methyl]pyrrolidin-2-yl]pyrazine
CID 95838571
N-methyl-6-[1-(thiophen-2-ylmethyl)pyrrolidin-2-yl]pyrazin-2-amine
CID 132776032
N-[6-[(2R)-1-[(2-fluorophenyl)methyl]pyrrolidin-2-yl]pyrazin-2-yl]-4,6-dimethylpyrimidin-2-amine
CID 95836145
N-methyl-6-[(2R)-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]pyrazin-2-amine
CID 125003062
N-methyl-6-[1-[(3-methylthiophen-2-yl)methyl]pyrrolidin-2-yl]pyrazin-2-amine
CID 132775734

Frequently Asked Questions

What is the IUPAC name of N-[6-[(2S)-1-[(4-fluorophenyl)methyl]pyrrolidin-2-yl]pyrazin-2-yl]-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-[6-[(2S)-1-[(4-fluorophenyl)methyl]pyrrolidin-2-yl]pyrazin-2-yl]-1,3,4-thiadiazol-2-amine (CID 95836155) is N-[6-[(2S)-1-[(4-fluorophenyl)methyl]pyrrolidin-2-yl]pyrazin-2-yl]-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-[6-[(2S)-1-[(4-fluorophenyl)methyl]pyrrolidin-2-yl]pyrazin-2-yl]-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-[6-[(2S)-1-[(4-fluorophenyl)methyl]pyrrolidin-2-yl]pyrazin-2-yl]-1,3,4-thiadiazol-2-amine is Fc1ccc(CN2CCC[C@H]2c2cncc(Nc3nncs3)n2)cc1.
What is the InChIKey of N-[6-[(2S)-1-[(4-fluorophenyl)methyl]pyrrolidin-2-yl]pyrazin-2-yl]-1,3,4-thiadiazol-2-amine?
The InChIKey is NLLVCESNKSYIKN-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H17FN6S/c18-13-5-3-12(4-6-13)10-24-7-1-2-15(24)14-8-19-9-16(21-14)22-17-23-20-11-25-17/h3-6,8-9,11,15H,1-2,7,10H2,(H,21,22,23)/t15-/m0/s1.
What are the key properties of N-[6-[(2S)-1-[(4-fluorophenyl)methyl]pyrrolidin-2-yl]pyrazin-2-yl]-1,3,4-thiadiazol-2-amine?
N-[6-[(2S)-1-[(4-fluorophenyl)methyl]pyrrolidin-2-yl]pyrazin-2-yl]-1,3,4-thiadiazol-2-amine has a molecular weight of 356.43 g/mol, XLogP of 3.55, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[(2S)-1-[(4-fluorophenyl)methyl]pyrrolidin-2-yl]pyrazin-2-yl]-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 95836155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).