N-[6-[(2R)-1-(2-phenylethyl)pyrrolidin-2-yl]pyrazin-2-yl]-1,3,4-thiadiazol-2-amine

C18H20N6S — CID 95836178

IUPACN-[6-[(2R)-1-(2-phenylethyl)pyrrolidin-2-yl]pyrazin-2-yl]-1,3,4-thiadiazol-2-amine
SMILESc1ccc(CCN2CCC[C@@H]2c2cncc(Nc3nncs3)n2)cc1
InChIInChI=1S/C18H20N6S/c1-2-5-14(6-3-1)8-10-24-9-4-7-16(24)15-11-19-12-17(21-15)22-18-23-20-13-25-18/h1-3,5-6,11-13,16H,4,7-10H2,(H,21,22,23)/t16-/m1/s1
InChIKeySQAUNVBEJPLUMM-MRXNPFEDSA-N
MW352.47 g/mol
LogP3.45
Rot. Bonds6

About N-[6-[(2R)-1-(2-phenylethyl)pyrrolidin-2-yl]pyrazin-2-yl]-1,3,4-thiadiazol-2-amine

N-[6-[(2R)-1-(2-phenylethyl)pyrrolidin-2-yl]pyrazin-2-yl]-1,3,4-thiadiazol-2-amine (PubChem CID 95836178) has the molecular formula C18H20N6S and a molecular weight of 352.47 g/mol. Its IUPAC name is N-[6-[(2R)-1-(2-phenylethyl)pyrrolidin-2-yl]pyrazin-2-yl]-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-[6-[(2R)-1-(2-phenylethyl)pyrrolidin-2-yl]pyrazin-2-yl]-1,3,4-thiadiazol-2-amine
PubChem CID95836178
Molecular FormulaC18H20N6S
Molecular Weight352.47 g/mol
Exact Mass352.15
IUPAC NameN-[6-[(2R)-1-(2-phenylethyl)pyrrolidin-2-yl]pyrazin-2-yl]-1,3,4-thiadiazol-2-amine
SMILESc1ccc(CCN2CCC[C@@H]2c2cncc(Nc3nncs3)n2)cc1
InChIInChI=1S/C18H20N6S/c1-2-5-14(6-3-1)8-10-24-9-4-7-16(24)15-11-19-12-17(21-15)22-18-23-20-13-25-18/h1-3,5-6,11-13,16H,4,7-10H2,(H,21,22,23)/t16-/m1/s1
InChIKeySQAUNVBEJPLUMM-MRXNPFEDSA-N
XLogP3.45
TPSA66.83 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.47
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[6-[(2R)-1-(2-phenylethyl)pyrrolidin-2-yl]pyrazin-2-yl]-1,3,4-thiadiazol-2-amine with MolForge

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Related Compounds

N-[6-[(2S)-1-[(4-fluorophenyl)methyl]pyrrolidin-2-yl]pyrazin-2-yl]-1,3,4-thiadiazol-2-amine
CID 95836155
N-[6-[(2S)-1-benzylpyrrolidin-2-yl]-2-methylpyrimidin-4-yl]-1,3,4-thiadiazol-2-amine
CID 95820339
4-[(2R)-1-(2-phenylethyl)pyrrolidin-2-yl]-N-pyrimidin-2-ylpyrimidin-2-amine
CID 95837499
N-[6-[1-(pyridin-2-ylmethyl)pyrrolidin-2-yl]pyrazin-2-yl]-1,3-thiazol-2-amine
CID 175659249
N-[6-[(2S)-1-[(2-fluorophenyl)methyl]pyrrolidin-2-yl]pyrazin-2-yl]-5-methyl-1,3,4-thiadiazol-2-amine
CID 95836146
N-[[6-[(2S)-1-(3-phenylpropyl)pyrrolidin-2-yl]pyrazin-2-yl]methyl]acetamide
CID 124970355
N-[2-methyl-6-[1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]pyrimidin-4-yl]-1,3,4-thiadiazol-2-amine
CID 110255678
3-[1-(2-phenylethyl)pyrrolidin-2-yl]pyridine
CID 91294184
6-[(2R)-1-(2-phenylethylsulfonyl)pyrrolidin-2-yl]-N-pyridin-2-ylpyrazin-2-amine
CID 95836399
N-methyl-6-[1-(thiophen-2-ylmethyl)pyrrolidin-2-yl]pyrazin-2-amine
CID 132776032
N-[6-[(2R)-1-ethylpiperidin-2-yl]-2-methylpyrimidin-4-yl]-1,3,4-thiadiazol-2-amine
CID 95844414
5-methyl-N-[6-[1-(1,3-thiazol-2-ylmethyl)pyrrolidin-2-yl]pyrazin-2-yl]-1,3-thiazol-2-amine
CID 175659672

Frequently Asked Questions

What is the IUPAC name of N-[6-[(2R)-1-(2-phenylethyl)pyrrolidin-2-yl]pyrazin-2-yl]-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-[6-[(2R)-1-(2-phenylethyl)pyrrolidin-2-yl]pyrazin-2-yl]-1,3,4-thiadiazol-2-amine (CID 95836178) is N-[6-[(2R)-1-(2-phenylethyl)pyrrolidin-2-yl]pyrazin-2-yl]-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-[6-[(2R)-1-(2-phenylethyl)pyrrolidin-2-yl]pyrazin-2-yl]-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-[6-[(2R)-1-(2-phenylethyl)pyrrolidin-2-yl]pyrazin-2-yl]-1,3,4-thiadiazol-2-amine is c1ccc(CCN2CCC[C@@H]2c2cncc(Nc3nncs3)n2)cc1.
What is the InChIKey of N-[6-[(2R)-1-(2-phenylethyl)pyrrolidin-2-yl]pyrazin-2-yl]-1,3,4-thiadiazol-2-amine?
The InChIKey is SQAUNVBEJPLUMM-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H20N6S/c1-2-5-14(6-3-1)8-10-24-9-4-7-16(24)15-11-19-12-17(21-15)22-18-23-20-13-25-18/h1-3,5-6,11-13,16H,4,7-10H2,(H,21,22,23)/t16-/m1/s1.
What are the key properties of N-[6-[(2R)-1-(2-phenylethyl)pyrrolidin-2-yl]pyrazin-2-yl]-1,3,4-thiadiazol-2-amine?
N-[6-[(2R)-1-(2-phenylethyl)pyrrolidin-2-yl]pyrazin-2-yl]-1,3,4-thiadiazol-2-amine has a molecular weight of 352.47 g/mol, XLogP of 3.45, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[(2R)-1-(2-phenylethyl)pyrrolidin-2-yl]pyrazin-2-yl]-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 95836178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).