N-[6-[(2S)-1-[(2-fluorophenyl)methyl]pyrrolidin-2-yl]pyrazin-2-yl]-5-methyl-1,3,4-thiadiazol-2-amine

C18H19FN6S — CID 95836146

IUPACN-[6-[(2S)-1-[(2-fluorophenyl)methyl]pyrrolidin-2-yl]pyrazin-2-yl]-5-methyl-1,3,4-thiadiazol-2-amine
SMILESCc1nnc(Nc2cncc([C@@H]3CCCN3Cc3ccccc3F)n2)s1
InChIInChI=1S/C18H19FN6S/c1-12-23-24-18(26-12)22-17-10-20-9-15(21-17)16-7-4-8-25(16)11-13-5-2-3-6-14(13)19/h2-3,5-6,9-10,16H,4,7-8,11H2,1H3,(H,21,22,24)/t16-/m0/s1
InChIKeyHJUDJUOVAOWZAN-INIZCTEOSA-N
MW370.46 g/mol
LogP3.86
Rot. Bonds5

About N-[6-[(2S)-1-[(2-fluorophenyl)methyl]pyrrolidin-2-yl]pyrazin-2-yl]-5-methyl-1,3,4-thiadiazol-2-amine

N-[6-[(2S)-1-[(2-fluorophenyl)methyl]pyrrolidin-2-yl]pyrazin-2-yl]-5-methyl-1,3,4-thiadiazol-2-amine (PubChem CID 95836146) has the molecular formula C18H19FN6S and a molecular weight of 370.46 g/mol. Its IUPAC name is N-[6-[(2S)-1-[(2-fluorophenyl)methyl]pyrrolidin-2-yl]pyrazin-2-yl]-5-methyl-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-[6-[(2S)-1-[(2-fluorophenyl)methyl]pyrrolidin-2-yl]pyrazin-2-yl]-5-methyl-1,3,4-thiadiazol-2-amine
PubChem CID95836146
Molecular FormulaC18H19FN6S
Molecular Weight370.46 g/mol
Exact Mass370.14
IUPAC NameN-[6-[(2S)-1-[(2-fluorophenyl)methyl]pyrrolidin-2-yl]pyrazin-2-yl]-5-methyl-1,3,4-thiadiazol-2-amine
SMILESCc1nnc(Nc2cncc([C@@H]3CCCN3Cc3ccccc3F)n2)s1
InChIInChI=1S/C18H19FN6S/c1-12-23-24-18(26-12)22-17-10-20-9-15(21-17)16-7-4-8-25(16)11-13-5-2-3-6-14(13)19/h2-3,5-6,9-10,16H,4,7-8,11H2,1H3,(H,21,22,24)/t16-/m0/s1
InChIKeyHJUDJUOVAOWZAN-INIZCTEOSA-N
XLogP3.86
TPSA66.83 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.46
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[6-[(2R)-1-[(2-fluorophenyl)methyl]pyrrolidin-2-yl]pyrazin-2-yl]-4,6-dimethylpyrimidin-2-amine
CID 95836145
5-ethyl-N-[6-[(2R)-1-[(2-methoxy-4-methylphenyl)methyl]pyrrolidin-2-yl]pyrazin-2-yl]-1,3,4-thiadiazol-2-amine
CID 95836335
N-[6-[(2S)-1-[(4-fluorophenyl)methyl]pyrrolidin-2-yl]pyrazin-2-yl]-1,3,4-thiadiazol-2-amine
CID 95836155
6-[(2R)-1-[(1-methylindol-3-yl)methyl]pyrrolidin-2-yl]-N-(6-methyl-2-pyridinyl)pyrazin-2-amine
CID 95836361
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
2-[1-[(2,5-difluorophenyl)methyl]pyrrolidin-2-yl]-6-methylpyrazine
CID 110114099
6-[(2R)-1-[[2-(2-methoxyphenyl)phenyl]methyl]pyrrolidin-2-yl]-N-methylpyrazin-2-amine
CID 124996999
N-[6-[(2R)-1-(2-phenylethyl)pyrrolidin-2-yl]pyrazin-2-yl]-1,3,4-thiadiazol-2-amine
CID 95836178
N-methyl-6-[1-(thiophen-2-ylmethyl)pyrrolidin-2-yl]pyrazin-2-amine
CID 132776032
6-[(2S)-1-(1H-indol-4-ylmethyl)pyrrolidin-2-yl]-N-methylpyrazin-2-amine
CID 124996383
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-[(2-fluorophenyl)methyl]pyrrolidin-2-yl]pyrazin-2-yl]-5-methyl-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-[6-[(2S)-1-[(2-fluorophenyl)methyl]pyrrolidin-2-yl]pyrazin-2-yl]-5-methyl-1,3,4-thiadiazol-2-amine (CID 95836146) is N-[6-[(2S)-1-[(2-fluorophenyl)methyl]pyrrolidin-2-yl]pyrazin-2-yl]-5-methyl-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-[6-[(2S)-1-[(2-fluorophenyl)methyl]pyrrolidin-2-yl]pyrazin-2-yl]-5-methyl-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-[6-[(2S)-1-[(2-fluorophenyl)methyl]pyrrolidin-2-yl]pyrazin-2-yl]-5-methyl-1,3,4-thiadiazol-2-amine is Cc1nnc(Nc2cncc([C@@H]3CCCN3Cc3ccccc3F)n2)s1.
What is the InChIKey of N-[6-[(2S)-1-[(2-fluorophenyl)methyl]pyrrolidin-2-yl]pyrazin-2-yl]-5-methyl-1,3,4-thiadiazol-2-amine?
The InChIKey is HJUDJUOVAOWZAN-INIZCTEOSA-N. The full InChI is InChI=1S/C18H19FN6S/c1-12-23-24-18(26-12)22-17-10-20-9-15(21-17)16-7-4-8-25(16)11-13-5-2-3-6-14(13)19/h2-3,5-6,9-10,16H,4,7-8,11H2,1H3,(H,21,22,24)/t16-/m0/s1.
What are the key properties of N-[6-[(2S)-1-[(2-fluorophenyl)methyl]pyrrolidin-2-yl]pyrazin-2-yl]-5-methyl-1,3,4-thiadiazol-2-amine?
N-[6-[(2S)-1-[(2-fluorophenyl)methyl]pyrrolidin-2-yl]pyrazin-2-yl]-5-methyl-1,3,4-thiadiazol-2-amine has a molecular weight of 370.46 g/mol, XLogP of 3.86, 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-[(2-fluorophenyl)methyl]pyrrolidin-2-yl]pyrazin-2-yl]-5-methyl-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 95836146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).