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

C20H16N6OS — CID 24830349

IUPAC6-[[6-(1-methyl-4-pyridin-4-ylpyrazol-3-yl)-3-pyridinyl]oxymethyl]imidazo[2,1-b][1,3]thiazole
SMILESCn1cc(-c2ccncc2)c(-c2ccc(OCc3cn4ccsc4n3)cn2)n1
InChIInChI=1S/C20H16N6OS/c1-25-12-17(14-4-6-21-7-5-14)19(24-25)18-3-2-16(10-22-18)27-13-15-11-26-8-9-28-20(26)23-15/h2-12H,13H2,1H3
InChIKeyXKIYSCLJBYCDKA-UHFFFAOYSA-N
MW388.46 g/mol
LogP3.83
Rot. Bonds5

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

6-[[6-(1-methyl-4-pyridin-4-ylpyrazol-3-yl)-3-pyridinyl]oxymethyl]imidazo[2,1-b][1,3]thiazole (PubChem CID 24830349) has the molecular formula C20H16N6OS and a molecular weight of 388.46 g/mol. Its IUPAC name is 6-[[6-(1-methyl-4-pyridin-4-ylpyrazol-3-yl)-3-pyridinyl]oxymethyl]imidazo[2,1-b][1,3]thiazole.

Molecular Properties

Compound Name6-[[6-(1-methyl-4-pyridin-4-ylpyrazol-3-yl)-3-pyridinyl]oxymethyl]imidazo[2,1-b][1,3]thiazole
PubChem CID24830349
Molecular FormulaC20H16N6OS
Molecular Weight388.46 g/mol
Exact Mass388.11
IUPAC Name6-[[6-(1-methyl-4-pyridin-4-ylpyrazol-3-yl)-3-pyridinyl]oxymethyl]imidazo[2,1-b][1,3]thiazole
SMILESCn1cc(-c2ccncc2)c(-c2ccc(OCc3cn4ccsc4n3)cn2)n1
InChIInChI=1S/C20H16N6OS/c1-25-12-17(14-4-6-21-7-5-14)19(24-25)18-3-2-16(10-22-18)27-13-15-11-26-8-9-28-20(26)23-15/h2-12H,13H2,1H3
InChIKeyXKIYSCLJBYCDKA-UHFFFAOYSA-N
XLogP3.83
TPSA70.13 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.46
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

6-[4-[(1-methyl-4-pyridin-4-ylpyrazol-3-yl)oxymethyl]phenyl]imidazo[2,1-b][1,3]thiazole
CID 70813336
2-[[6-(1-methyl-4-phenylpyrazol-3-yl)-3-pyridinyl]oxymethyl]quinoline
CID 24830183
1-[4-(imidazo[2,1-b][1,3]thiazol-6-ylmethoxy)phenyl]ethanol
CID 115332160
2-[[4-(1-methyl-4-pyridin-4-ylpyrazol-3-yl)phenoxy]methyl]-1,6-naphthyridine
CID 140627213
6-[(3-chlorophenoxy)methyl]imidazo[2,1-b][1,3]thiazole
CID 115334810
(NZ)-N-[1-[4-(imidazo[2,1-b][1,3]thiazol-6-ylmethoxy)phenyl]propylidene]hydroxylamine
CID 115332012
N'-hydroxy-4-(imidazo[2,1-b][1,3]thiazol-6-ylmethoxy)benzenecarboximidamide
CID 115331979
[2-(imidazo[2,1-b][1,3]thiazol-6-ylmethoxy)-5-methoxyphenyl]methanol
CID 115332156
2-[[4-(1-(111C)methyl-4-pyridin-4-ylpyrazol-3-yl)phenoxy]methyl]pyrido[3,2-d]pyrimidine
CID 72706913
2-amino-5-(imidazo[2,1-b][1,3]thiazol-6-ylmethoxy)benzoic acid
CID 107076961
1-methyl-2-[[4-(1-methyl-4-pyridin-4-ylpyrazol-3-yl)phenoxy]methyl]benzimidazole
CID 23648644
[2-(imidazo[2,1-b][1,3]thiazol-6-ylmethoxy)phenyl]methanol
CID 113288919

Frequently Asked Questions

What is the IUPAC name of 6-[[6-(1-methyl-4-pyridin-4-ylpyrazol-3-yl)-3-pyridinyl]oxymethyl]imidazo[2,1-b][1,3]thiazole?
The IUPAC name of 6-[[6-(1-methyl-4-pyridin-4-ylpyrazol-3-yl)-3-pyridinyl]oxymethyl]imidazo[2,1-b][1,3]thiazole (CID 24830349) is 6-[[6-(1-methyl-4-pyridin-4-ylpyrazol-3-yl)-3-pyridinyl]oxymethyl]imidazo[2,1-b][1,3]thiazole.
What is the SMILES notation for 6-[[6-(1-methyl-4-pyridin-4-ylpyrazol-3-yl)-3-pyridinyl]oxymethyl]imidazo[2,1-b][1,3]thiazole?
The canonical SMILES for 6-[[6-(1-methyl-4-pyridin-4-ylpyrazol-3-yl)-3-pyridinyl]oxymethyl]imidazo[2,1-b][1,3]thiazole is Cn1cc(-c2ccncc2)c(-c2ccc(OCc3cn4ccsc4n3)cn2)n1.
What is the InChIKey of 6-[[6-(1-methyl-4-pyridin-4-ylpyrazol-3-yl)-3-pyridinyl]oxymethyl]imidazo[2,1-b][1,3]thiazole?
The InChIKey is XKIYSCLJBYCDKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N6OS/c1-25-12-17(14-4-6-21-7-5-14)19(24-25)18-3-2-16(10-22-18)27-13-15-11-26-8-9-28-20(26)23-15/h2-12H,13H2,1H3.
What are the key properties of 6-[[6-(1-methyl-4-pyridin-4-ylpyrazol-3-yl)-3-pyridinyl]oxymethyl]imidazo[2,1-b][1,3]thiazole?
6-[[6-(1-methyl-4-pyridin-4-ylpyrazol-3-yl)-3-pyridinyl]oxymethyl]imidazo[2,1-b][1,3]thiazole has a molecular weight of 388.46 g/mol, XLogP of 3.83, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[6-(1-methyl-4-pyridin-4-ylpyrazol-3-yl)-3-pyridinyl]oxymethyl]imidazo[2,1-b][1,3]thiazole is sourced from PubChem (CID 24830349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).