2-[(6-chloro-3-ethylimidazo[1,2-b]pyridazin-2-yl)-imidazol-1-ylmethyl]-1,3-thiazole

C15H13ClN6S — CID 91572586

IUPAC2-[(6-chloro-3-ethylimidazo[1,2-b]pyridazin-2-yl)-imidazol-1-ylmethyl]-1,3-thiazole
SMILESCCc1c(C(c2nccs2)n2ccnc2)nc2ccc(Cl)nn12
InChIInChI=1S/C15H13ClN6S/c1-2-10-13(19-12-4-3-11(16)20-22(10)12)14(15-18-6-8-23-15)21-7-5-17-9-21/h3-9,14H,2H2,1H3
InChIKeyPINPRHULJKGXEE-UHFFFAOYSA-N
MW344.83 g/mol
LogP3.24
Rot. Bonds4

About 2-[(6-chloro-3-ethylimidazo[1,2-b]pyridazin-2-yl)-imidazol-1-ylmethyl]-1,3-thiazole

2-[(6-chloro-3-ethylimidazo[1,2-b]pyridazin-2-yl)-imidazol-1-ylmethyl]-1,3-thiazole (PubChem CID 91572586) has the molecular formula C15H13ClN6S and a molecular weight of 344.83 g/mol. Its IUPAC name is 2-[(6-chloro-3-ethylimidazo[1,2-b]pyridazin-2-yl)-imidazol-1-ylmethyl]-1,3-thiazole.

Molecular Properties

Compound Name2-[(6-chloro-3-ethylimidazo[1,2-b]pyridazin-2-yl)-imidazol-1-ylmethyl]-1,3-thiazole
PubChem CID91572586
Molecular FormulaC15H13ClN6S
Molecular Weight344.83 g/mol
Exact Mass344.06
IUPAC Name2-[(6-chloro-3-ethylimidazo[1,2-b]pyridazin-2-yl)-imidazol-1-ylmethyl]-1,3-thiazole
SMILESCCc1c(C(c2nccs2)n2ccnc2)nc2ccc(Cl)nn12
InChIInChI=1S/C15H13ClN6S/c1-2-10-13(19-12-4-3-11(16)20-22(10)12)14(15-18-6-8-23-15)21-7-5-17-9-21/h3-9,14H,2H2,1H3
InChIKeyPINPRHULJKGXEE-UHFFFAOYSA-N
XLogP3.24
TPSA60.90 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.83
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-[7-(5,7-Dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)imidazo[1,2-a]pyrimidin-2-yl]-1,3-thiazole
CID 129051755
2-[2-(6,8-Dichloro-5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]-1,3-thiazole
CID 165415343
US9096589, 5-Methyl-2-[2-(1-methyl-4-thiazol-5-yl-1H-imidazol-2-yl)-ethyl]-[1,2,4]triazolo[1,5-a]pyridine
CID 53250346
US9096589, 8-Fluoro-2-[(E)-2-(1-methyl-4-thiazol-5-yl-1H-imidazol-2-yl)-vinyl]-[1,2,4]triazolo[1,5-a]pyridine
CID 53252248
US9096589, 5,8-Dimethyl-2-[2-(1-methyl-4-thiazol-2-yl-1H-imidazol-2-yl)-ethyl]-[1,2,4]triazolo[1,5-a]pyridine
CID 67257255
5-[2-[2-(8-Fluoro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethenyl]-1-methylimidazol-4-yl]-1,3-thiazole
CID 67258711
2-(6-Chloroimidazo[1,2-b]pyridazin-3-yl)-5-(trifluoromethyl)-1,3-thiazole
CID 168873698
2-(6-Chloroimidazo[1,2-b]pyridazin-3-yl)-4-(trifluoromethyl)-1,3-thiazole
CID 168873733
6-Chloro-3-methyl-2-[(2-thiophen-2-ylimidazol-1-yl)methyl]imidazo[1,2-b]pyridazine
CID 22335054
Imidazo[1,2-b]pyridazine,6-chloro-3-ethyl-2-[[2-(2-thiazolyl)-1h-imidazol-1-yl]methyl]-
CID 22335067
2-[3-Ethyl-2-[(2-pyrimidin-2-ylimidazol-1-yl)methyl]imidazo[1,2-b]pyridazin-6-yl]-1,3-thiazole
CID 57456766
2-[4-Chloro-5-(2,6-dimethyl-8-pentan-3-ylimidazo[1,2-b]pyridazin-3-yl)thiophen-2-yl]-1,3-thiazole
CID 57932952

Frequently Asked Questions

What is the IUPAC name of 2-[(6-chloro-3-ethylimidazo[1,2-b]pyridazin-2-yl)-imidazol-1-ylmethyl]-1,3-thiazole?
The IUPAC name of 2-[(6-chloro-3-ethylimidazo[1,2-b]pyridazin-2-yl)-imidazol-1-ylmethyl]-1,3-thiazole (CID 91572586) is 2-[(6-chloro-3-ethylimidazo[1,2-b]pyridazin-2-yl)-imidazol-1-ylmethyl]-1,3-thiazole.
What is the SMILES notation for 2-[(6-chloro-3-ethylimidazo[1,2-b]pyridazin-2-yl)-imidazol-1-ylmethyl]-1,3-thiazole?
The canonical SMILES for 2-[(6-chloro-3-ethylimidazo[1,2-b]pyridazin-2-yl)-imidazol-1-ylmethyl]-1,3-thiazole is CCc1c(C(c2nccs2)n2ccnc2)nc2ccc(Cl)nn12.
What is the InChIKey of 2-[(6-chloro-3-ethylimidazo[1,2-b]pyridazin-2-yl)-imidazol-1-ylmethyl]-1,3-thiazole?
The InChIKey is PINPRHULJKGXEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN6S/c1-2-10-13(19-12-4-3-11(16)20-22(10)12)14(15-18-6-8-23-15)21-7-5-17-9-21/h3-9,14H,2H2,1H3.
What are the key properties of 2-[(6-chloro-3-ethylimidazo[1,2-b]pyridazin-2-yl)-imidazol-1-ylmethyl]-1,3-thiazole?
2-[(6-chloro-3-ethylimidazo[1,2-b]pyridazin-2-yl)-imidazol-1-ylmethyl]-1,3-thiazole has a molecular weight of 344.83 g/mol, XLogP of 3.24, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-chloro-3-ethylimidazo[1,2-b]pyridazin-2-yl)-imidazol-1-ylmethyl]-1,3-thiazole is sourced from PubChem (CID 91572586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).