1-[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]pyrimidin-2-yl]-1-(2-piperidin-1-ylethyl)hydrazine

C22H24FN7S — CID 70831737

IUPAC1-[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]pyrimidin-2-yl]-1-(2-piperidin-1-ylethyl)hydrazine
SMILESNN(CCN1CCCCC1)c1nccc(-c2c(-c3ccc(F)cc3)nc3sccn23)n1
InChIInChI=1S/C22H24FN7S/c23-17-6-4-16(5-7-17)19-20(29-14-15-31-22(29)27-19)18-8-9-25-21(26-18)30(24)13-12-28-10-2-1-3-11-28/h4-9,14-15H,1-3,10-13,24H2
InChIKeyBBAQNRWFQIGBCJ-UHFFFAOYSA-N
MW437.55 g/mol
LogP3.82
Rot. Bonds6

About 1-[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]pyrimidin-2-yl]-1-(2-piperidin-1-ylethyl)hydrazine

1-[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]pyrimidin-2-yl]-1-(2-piperidin-1-ylethyl)hydrazine (PubChem CID 70831737) has the molecular formula C22H24FN7S and a molecular weight of 437.55 g/mol. Its IUPAC name is 1-[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]pyrimidin-2-yl]-1-(2-piperidin-1-ylethyl)hydrazine.

Molecular Properties

Compound Name1-[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]pyrimidin-2-yl]-1-(2-piperidin-1-ylethyl)hydrazine
PubChem CID70831737
Molecular FormulaC22H24FN7S
Molecular Weight437.55 g/mol
Exact Mass437.18
IUPAC Name1-[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]pyrimidin-2-yl]-1-(2-piperidin-1-ylethyl)hydrazine
SMILESNN(CCN1CCCCC1)c1nccc(-c2c(-c3ccc(F)cc3)nc3sccn23)n1
InChIInChI=1S/C22H24FN7S/c23-17-6-4-16(5-7-17)19-20(29-14-15-31-22(29)27-19)18-8-9-25-21(26-18)30(24)13-12-28-10-2-1-3-11-28/h4-9,14-15H,1-3,10-13,24H2
InChIKeyBBAQNRWFQIGBCJ-UHFFFAOYSA-N
XLogP3.82
TPSA75.58 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.55
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]pyrimidin-2-yl]-1-(2-piperidin-1-ylethyl)hydrazine?
The IUPAC name of 1-[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]pyrimidin-2-yl]-1-(2-piperidin-1-ylethyl)hydrazine (CID 70831737) is 1-[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]pyrimidin-2-yl]-1-(2-piperidin-1-ylethyl)hydrazine.
What is the SMILES notation for 1-[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]pyrimidin-2-yl]-1-(2-piperidin-1-ylethyl)hydrazine?
The canonical SMILES for 1-[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]pyrimidin-2-yl]-1-(2-piperidin-1-ylethyl)hydrazine is NN(CCN1CCCCC1)c1nccc(-c2c(-c3ccc(F)cc3)nc3sccn23)n1.
What is the InChIKey of 1-[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]pyrimidin-2-yl]-1-(2-piperidin-1-ylethyl)hydrazine?
The InChIKey is BBAQNRWFQIGBCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24FN7S/c23-17-6-4-16(5-7-17)19-20(29-14-15-31-22(29)27-19)18-8-9-25-21(26-18)30(24)13-12-28-10-2-1-3-11-28/h4-9,14-15H,1-3,10-13,24H2.
What are the key properties of 1-[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]pyrimidin-2-yl]-1-(2-piperidin-1-ylethyl)hydrazine?
1-[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]pyrimidin-2-yl]-1-(2-piperidin-1-ylethyl)hydrazine has a molecular weight of 437.55 g/mol, XLogP of 3.82, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]pyrimidin-2-yl]-1-(2-piperidin-1-ylethyl)hydrazine is sourced from PubChem (CID 70831737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).