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

C21H17N5OS — CID 23648760

IUPAC6-[[4-(1-methyl-4-pyridin-4-ylpyrazol-3-yl)phenoxy]methyl]imidazo[2,1-b][1,3]thiazole
SMILESCn1cc(-c2ccncc2)c(-c2ccc(OCc3cn4ccsc4n3)cc2)n1
InChIInChI=1S/C21H17N5OS/c1-25-13-19(15-6-8-22-9-7-15)20(24-25)16-2-4-18(5-3-16)27-14-17-12-26-10-11-28-21(26)23-17/h2-13H,14H2,1H3
InChIKeyLKCJFTGDXBWISR-UHFFFAOYSA-N
MW387.47 g/mol
LogP4.44
Rot. Bonds5

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

6-[[4-(1-methyl-4-pyridin-4-ylpyrazol-3-yl)phenoxy]methyl]imidazo[2,1-b][1,3]thiazole (PubChem CID 23648760) 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)phenoxy]methyl]imidazo[2,1-b][1,3]thiazole.

Molecular Properties

Compound Name6-[[4-(1-methyl-4-pyridin-4-ylpyrazol-3-yl)phenoxy]methyl]imidazo[2,1-b][1,3]thiazole
PubChem CID23648760
Molecular FormulaC21H17N5OS
Molecular Weight387.47 g/mol
Exact Mass387.12
IUPAC Name6-[[4-(1-methyl-4-pyridin-4-ylpyrazol-3-yl)phenoxy]methyl]imidazo[2,1-b][1,3]thiazole
SMILESCn1cc(-c2ccncc2)c(-c2ccc(OCc3cn4ccsc4n3)cc2)n1
InChIInChI=1S/C21H17N5OS/c1-25-13-19(15-6-8-22-9-7-15)20(24-25)16-2-4-18(5-3-16)27-14-17-12-26-10-11-28-21(26)23-17/h2-13H,14H2,1H3
InChIKeyLKCJFTGDXBWISR-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)phenoxy]methyl]imidazo[2,1-b][1,3]thiazole?
The IUPAC name of 6-[[4-(1-methyl-4-pyridin-4-ylpyrazol-3-yl)phenoxy]methyl]imidazo[2,1-b][1,3]thiazole (CID 23648760) is 6-[[4-(1-methyl-4-pyridin-4-ylpyrazol-3-yl)phenoxy]methyl]imidazo[2,1-b][1,3]thiazole.
What is the SMILES notation for 6-[[4-(1-methyl-4-pyridin-4-ylpyrazol-3-yl)phenoxy]methyl]imidazo[2,1-b][1,3]thiazole?
The canonical SMILES for 6-[[4-(1-methyl-4-pyridin-4-ylpyrazol-3-yl)phenoxy]methyl]imidazo[2,1-b][1,3]thiazole is Cn1cc(-c2ccncc2)c(-c2ccc(OCc3cn4ccsc4n3)cc2)n1.
What is the InChIKey of 6-[[4-(1-methyl-4-pyridin-4-ylpyrazol-3-yl)phenoxy]methyl]imidazo[2,1-b][1,3]thiazole?
The InChIKey is LKCJFTGDXBWISR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N5OS/c1-25-13-19(15-6-8-22-9-7-15)20(24-25)16-2-4-18(5-3-16)27-14-17-12-26-10-11-28-21(26)23-17/h2-13H,14H2,1H3.
What are the key properties of 6-[[4-(1-methyl-4-pyridin-4-ylpyrazol-3-yl)phenoxy]methyl]imidazo[2,1-b][1,3]thiazole?
6-[[4-(1-methyl-4-pyridin-4-ylpyrazol-3-yl)phenoxy]methyl]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)phenoxy]methyl]imidazo[2,1-b][1,3]thiazole is sourced from PubChem (CID 23648760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).