1-benzyl-N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]pyrrolidin-3-amine

C19H21N5S — CID 56718052

IUPAC1-benzyl-N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]pyrrolidin-3-amine
SMILESc1ccc(CN2CCC(NCc3csc(-c4cnccn4)n3)C2)cc1
InChIInChI=1S/C19H21N5S/c1-2-4-15(5-3-1)12-24-9-6-16(13-24)22-10-17-14-25-19(23-17)18-11-20-7-8-21-18/h1-5,7-8,11,14,16,22H,6,9-10,12-13H2
InChIKeyWTHFZJUEXSCOFF-UHFFFAOYSA-N
MW351.48 g/mol
LogP2.96
Rot. Bonds6

About 1-benzyl-N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]pyrrolidin-3-amine

1-benzyl-N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]pyrrolidin-3-amine (PubChem CID 56718052) has the molecular formula C19H21N5S and a molecular weight of 351.48 g/mol. Its IUPAC name is 1-benzyl-N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]pyrrolidin-3-amine.

Molecular Properties

Compound Name1-benzyl-N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]pyrrolidin-3-amine
PubChem CID56718052
Molecular FormulaC19H21N5S
Molecular Weight351.48 g/mol
Exact Mass351.15
IUPAC Name1-benzyl-N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]pyrrolidin-3-amine
SMILESc1ccc(CN2CCC(NCc3csc(-c4cnccn4)n3)C2)cc1
InChIInChI=1S/C19H21N5S/c1-2-4-15(5-3-1)12-24-9-6-16(13-24)22-10-17-14-25-19(23-17)18-11-20-7-8-21-18/h1-5,7-8,11,14,16,22H,6,9-10,12-13H2
InChIKeyWTHFZJUEXSCOFF-UHFFFAOYSA-N
XLogP2.96
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.48
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-benzyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidin-3-amine
CID 43223648
[4-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methylamino]piperidin-1-yl]-pyridin-4-ylmethanone
CID 131933582
1-benzyl-N-(1,3-thiazol-2-ylmethyl)pyrrolidin-3-amine
CID 61285826
1-benzyl-N-[(2-methylpyrimidin-4-yl)methyl]pyrrolidin-3-amine
CID 61016801
N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]cyclopropanamine
CID 43234356
1-benzyl-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]pyrrolidin-3-amine
CID 60982783
1-benzyl-N-(thiophen-3-ylmethyl)pyrrolidin-3-amine
CID 43223638
4-(chloromethyl)-2-pyrazin-2-yl-1,3-thiazole
CID 23025076
4-[[(1-benzylpiperidin-4-yl)amino]methyl]pyridin-3-amine
CID 18321349
1-benzyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-3-amine
CID 60713870
(3S)-1-benzyl-N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]pyrrolidin-3-amine
CID 95221422
[1-benzyl-4-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methylamino]piperidin-3-yl]methanol
CID 75373117

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]pyrrolidin-3-amine?
The IUPAC name of 1-benzyl-N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]pyrrolidin-3-amine (CID 56718052) is 1-benzyl-N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]pyrrolidin-3-amine.
What is the SMILES notation for 1-benzyl-N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]pyrrolidin-3-amine?
The canonical SMILES for 1-benzyl-N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]pyrrolidin-3-amine is c1ccc(CN2CCC(NCc3csc(-c4cnccn4)n3)C2)cc1.
What is the InChIKey of 1-benzyl-N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]pyrrolidin-3-amine?
The InChIKey is WTHFZJUEXSCOFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5S/c1-2-4-15(5-3-1)12-24-9-6-16(13-24)22-10-17-14-25-19(23-17)18-11-20-7-8-21-18/h1-5,7-8,11,14,16,22H,6,9-10,12-13H2.
What are the key properties of 1-benzyl-N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]pyrrolidin-3-amine?
1-benzyl-N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]pyrrolidin-3-amine has a molecular weight of 351.48 g/mol, XLogP of 2.96, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]pyrrolidin-3-amine is sourced from PubChem (CID 56718052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).