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

C18H18FN5S — CID 131899939

IUPAC1-(4-fluorophenyl)-N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]pyrrolidin-3-amine
SMILESFc1ccc(N2CCC(NCc3csc(-c4cnccn4)n3)C2)cc1
InChIInChI=1S/C18H18FN5S/c19-13-1-3-16(4-2-13)24-8-5-14(11-24)22-9-15-12-25-18(23-15)17-10-20-6-7-21-17/h1-4,6-7,10,12,14,22H,5,8-9,11H2
InChIKeyOKRZANKPQGHBOW-UHFFFAOYSA-N
MW355.44 g/mol
LogP3.11
Rot. Bonds5

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

1-(4-fluorophenyl)-N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]pyrrolidin-3-amine (PubChem CID 131899939) has the molecular formula C18H18FN5S and a molecular weight of 355.44 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]pyrrolidin-3-amine.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]pyrrolidin-3-amine
PubChem CID131899939
Molecular FormulaC18H18FN5S
Molecular Weight355.44 g/mol
Exact Mass355.13
IUPAC Name1-(4-fluorophenyl)-N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]pyrrolidin-3-amine
SMILESFc1ccc(N2CCC(NCc3csc(-c4cnccn4)n3)C2)cc1
InChIInChI=1S/C18H18FN5S/c19-13-1-3-16(4-2-13)24-8-5-14(11-24)22-9-15-12-25-18(23-15)17-10-20-6-7-21-17/h1-4,6-7,10,12,14,22H,5,8-9,11H2
InChIKeyOKRZANKPQGHBOW-UHFFFAOYSA-N
XLogP3.11
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]pyrrolidin-3-amine?
The IUPAC name of 1-(4-fluorophenyl)-N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]pyrrolidin-3-amine (CID 131899939) is 1-(4-fluorophenyl)-N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]pyrrolidin-3-amine.
What is the SMILES notation for 1-(4-fluorophenyl)-N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]pyrrolidin-3-amine?
The canonical SMILES for 1-(4-fluorophenyl)-N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]pyrrolidin-3-amine is Fc1ccc(N2CCC(NCc3csc(-c4cnccn4)n3)C2)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]pyrrolidin-3-amine?
The InChIKey is OKRZANKPQGHBOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN5S/c19-13-1-3-16(4-2-13)24-8-5-14(11-24)22-9-15-12-25-18(23-15)17-10-20-6-7-21-17/h1-4,6-7,10,12,14,22H,5,8-9,11H2.
What are the key properties of 1-(4-fluorophenyl)-N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]pyrrolidin-3-amine?
1-(4-fluorophenyl)-N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]pyrrolidin-3-amine has a molecular weight of 355.44 g/mol, XLogP of 3.11, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]pyrrolidin-3-amine is sourced from PubChem (CID 131899939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).