1-[[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]pyrimidin-2-yl]amino]-3-phenoxypropan-2-ol

C24H20FN5O2S — CID 58541650

IUPAC1-[[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]pyrimidin-2-yl]amino]-3-phenoxypropan-2-ol
SMILESOC(CNc1nccc(-c2c(-c3ccc(F)cc3)nc3sccn23)n1)COc1ccccc1
InChIInChI=1S/C24H20FN5O2S/c25-17-8-6-16(7-9-17)21-22(30-12-13-33-24(30)29-21)20-10-11-26-23(28-20)27-14-18(31)15-32-19-4-2-1-3-5-19/h1-13,18,31H,14-15H2,(H,26,27,28)
InChIKeyBTCABXFMIRLPSO-UHFFFAOYSA-N
MW461.52 g/mol
LogP4.51
Rot. Bonds8

About 1-[[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]pyrimidin-2-yl]amino]-3-phenoxypropan-2-ol

1-[[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]pyrimidin-2-yl]amino]-3-phenoxypropan-2-ol (PubChem CID 58541650) has the molecular formula C24H20FN5O2S and a molecular weight of 461.52 g/mol. Its IUPAC name is 1-[[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]pyrimidin-2-yl]amino]-3-phenoxypropan-2-ol.

Molecular Properties

Compound Name1-[[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]pyrimidin-2-yl]amino]-3-phenoxypropan-2-ol
PubChem CID58541650
Molecular FormulaC24H20FN5O2S
Molecular Weight461.52 g/mol
Exact Mass461.13
IUPAC Name1-[[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]pyrimidin-2-yl]amino]-3-phenoxypropan-2-ol
SMILESOC(CNc1nccc(-c2c(-c3ccc(F)cc3)nc3sccn23)n1)COc1ccccc1
InChIInChI=1S/C24H20FN5O2S/c25-17-8-6-16(7-9-17)21-22(30-12-13-33-24(30)29-21)20-10-11-26-23(28-20)27-14-18(31)15-32-19-4-2-1-3-5-19/h1-13,18,31H,14-15H2,(H,26,27,28)
InChIKeyBTCABXFMIRLPSO-UHFFFAOYSA-N
XLogP4.51
TPSA84.57 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.52
LogP ≤ 54.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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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]amino]-3-phenoxypropan-2-ol?
The IUPAC name of 1-[[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]pyrimidin-2-yl]amino]-3-phenoxypropan-2-ol (CID 58541650) is 1-[[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]pyrimidin-2-yl]amino]-3-phenoxypropan-2-ol.
What is the SMILES notation for 1-[[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]pyrimidin-2-yl]amino]-3-phenoxypropan-2-ol?
The canonical SMILES for 1-[[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]pyrimidin-2-yl]amino]-3-phenoxypropan-2-ol is OC(CNc1nccc(-c2c(-c3ccc(F)cc3)nc3sccn23)n1)COc1ccccc1.
What is the InChIKey of 1-[[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]pyrimidin-2-yl]amino]-3-phenoxypropan-2-ol?
The InChIKey is BTCABXFMIRLPSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20FN5O2S/c25-17-8-6-16(7-9-17)21-22(30-12-13-33-24(30)29-21)20-10-11-26-23(28-20)27-14-18(31)15-32-19-4-2-1-3-5-19/h1-13,18,31H,14-15H2,(H,26,27,28).
What are the key properties of 1-[[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]pyrimidin-2-yl]amino]-3-phenoxypropan-2-ol?
1-[[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]pyrimidin-2-yl]amino]-3-phenoxypropan-2-ol has a molecular weight of 461.52 g/mol, XLogP of 4.51, 8 rotatable bonds, 2 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]amino]-3-phenoxypropan-2-ol is sourced from PubChem (CID 58541650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).