6-[4-[(1-methyl-4-pyridin-4-ylpyrazol-3-yl)oxymethyl]phenyl]imidazo[2,1-b][1,3]thiazole

C21H17N5OS — CID 70813336

IUPAC6-[4-[(1-methyl-4-pyridin-4-ylpyrazol-3-yl)oxymethyl]phenyl]imidazo[2,1-b][1,3]thiazole
SMILESCn1cc(-c2ccncc2)c(OCc2ccc(-c3cn4ccsc4n3)cc2)n1
InChIInChI=1S/C21H17N5OS/c1-25-12-18(16-6-8-22-9-7-16)20(24-25)27-14-15-2-4-17(5-3-15)19-13-26-10-11-28-21(26)23-19/h2-13H,14H2,1H3
InChIKeyFBOITYXWNLFPFW-UHFFFAOYSA-N
MW387.47 g/mol
LogP4.44
Rot. Bonds5

About 6-[4-[(1-methyl-4-pyridin-4-ylpyrazol-3-yl)oxymethyl]phenyl]imidazo[2,1-b][1,3]thiazole

6-[4-[(1-methyl-4-pyridin-4-ylpyrazol-3-yl)oxymethyl]phenyl]imidazo[2,1-b][1,3]thiazole (PubChem CID 70813336) has the molecular formula C21H17N5OS and a molecular weight of 387.47 g/mol. Its IUPAC name is 6-[4-[(1-methyl-4-pyridin-4-ylpyrazol-3-yl)oxymethyl]phenyl]imidazo[2,1-b][1,3]thiazole.

Molecular Properties

Compound Name6-[4-[(1-methyl-4-pyridin-4-ylpyrazol-3-yl)oxymethyl]phenyl]imidazo[2,1-b][1,3]thiazole
PubChem CID70813336
Molecular FormulaC21H17N5OS
Molecular Weight387.47 g/mol
Exact Mass387.12
IUPAC Name6-[4-[(1-methyl-4-pyridin-4-ylpyrazol-3-yl)oxymethyl]phenyl]imidazo[2,1-b][1,3]thiazole
SMILESCn1cc(-c2ccncc2)c(OCc2ccc(-c3cn4ccsc4n3)cc2)n1
InChIInChI=1S/C21H17N5OS/c1-25-12-18(16-6-8-22-9-7-16)20(24-25)27-14-15-2-4-17(5-3-15)19-13-26-10-11-28-21(26)23-19/h2-13H,14H2,1H3
InChIKeyFBOITYXWNLFPFW-UHFFFAOYSA-N
XLogP4.44
TPSA57.24 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.47
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-[4-[(1-methyl-4-pyridin-4-ylpyrazol-3-yl)oxymethyl]phenyl]imidazo[2,1-b][1,3]thiazole?
The IUPAC name of 6-[4-[(1-methyl-4-pyridin-4-ylpyrazol-3-yl)oxymethyl]phenyl]imidazo[2,1-b][1,3]thiazole (CID 70813336) is 6-[4-[(1-methyl-4-pyridin-4-ylpyrazol-3-yl)oxymethyl]phenyl]imidazo[2,1-b][1,3]thiazole.
What is the SMILES notation for 6-[4-[(1-methyl-4-pyridin-4-ylpyrazol-3-yl)oxymethyl]phenyl]imidazo[2,1-b][1,3]thiazole?
The canonical SMILES for 6-[4-[(1-methyl-4-pyridin-4-ylpyrazol-3-yl)oxymethyl]phenyl]imidazo[2,1-b][1,3]thiazole is Cn1cc(-c2ccncc2)c(OCc2ccc(-c3cn4ccsc4n3)cc2)n1.
What is the InChIKey of 6-[4-[(1-methyl-4-pyridin-4-ylpyrazol-3-yl)oxymethyl]phenyl]imidazo[2,1-b][1,3]thiazole?
The InChIKey is FBOITYXWNLFPFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N5OS/c1-25-12-18(16-6-8-22-9-7-16)20(24-25)27-14-15-2-4-17(5-3-15)19-13-26-10-11-28-21(26)23-19/h2-13H,14H2,1H3.
What are the key properties of 6-[4-[(1-methyl-4-pyridin-4-ylpyrazol-3-yl)oxymethyl]phenyl]imidazo[2,1-b][1,3]thiazole?
6-[4-[(1-methyl-4-pyridin-4-ylpyrazol-3-yl)oxymethyl]phenyl]imidazo[2,1-b][1,3]thiazole has a molecular weight of 387.47 g/mol, XLogP of 4.44, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[(1-methyl-4-pyridin-4-ylpyrazol-3-yl)oxymethyl]phenyl]imidazo[2,1-b][1,3]thiazole is sourced from PubChem (CID 70813336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).