2,5-dimethyl-N-[2-methyl-6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-3-yl]-1,3-thiazole-4-carboxamide

C20H16F3N5OS — CID 71525675

IUPAC2,5-dimethyl-N-[2-methyl-6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-3-yl]-1,3-thiazole-4-carboxamide
SMILESCc1nc(C(=O)Nc2c(C)nc3ccc(-c4ccccc4C(F)(F)F)nn23)c(C)s1
InChIInChI=1S/C20H16F3N5OS/c1-10-18(26-19(29)17-11(2)30-12(3)25-17)28-16(24-10)9-8-15(27-28)13-6-4-5-7-14(13)20(21,22)23/h4-9H,1-3H3,(H,26,29)
InChIKeyZCNWTHGPQSIXED-UHFFFAOYSA-N
MW431.44 g/mol
LogP5.05
Rot. Bonds3

About 2,5-dimethyl-N-[2-methyl-6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-3-yl]-1,3-thiazole-4-carboxamide

2,5-dimethyl-N-[2-methyl-6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-3-yl]-1,3-thiazole-4-carboxamide (PubChem CID 71525675) has the molecular formula C20H16F3N5OS and a molecular weight of 431.44 g/mol. Its IUPAC name is 2,5-dimethyl-N-[2-methyl-6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-3-yl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2,5-dimethyl-N-[2-methyl-6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-3-yl]-1,3-thiazole-4-carboxamide
PubChem CID71525675
Molecular FormulaC20H16F3N5OS
Molecular Weight431.44 g/mol
Exact Mass431.10
IUPAC Name2,5-dimethyl-N-[2-methyl-6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-3-yl]-1,3-thiazole-4-carboxamide
SMILESCc1nc(C(=O)Nc2c(C)nc3ccc(-c4ccccc4C(F)(F)F)nn23)c(C)s1
InChIInChI=1S/C20H16F3N5OS/c1-10-18(26-19(29)17-11(2)30-12(3)25-17)28-16(24-10)9-8-15(27-28)13-6-4-5-7-14(13)20(21,22)23/h4-9H,1-3H3,(H,26,29)
InChIKeyZCNWTHGPQSIXED-UHFFFAOYSA-N
XLogP5.05
TPSA72.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.44
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(1,2-dihydro-1,2,4-triazin-5-yl)-2-methyl-6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-3-carboxamide
CID 136611750
N-(2-tert-butylphenyl)-2,5-dimethyl-1,3-thiazole-4-carboxamide
CID 110858372
2,5-dimethyl-N-[4-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide
CID 110860901
2,5-dimethyl-N-(2-methylphenyl)-1,3-thiazole-4-carboxamide
CID 110465519
2-methyl-6-[2-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3,4]thiadiazole
CID 107646639
2,8-dimethyl-N-prop-1-en-2-yl-6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-3-carboxamide
CID 144734827
2-morpholin-4-yl-6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-3-carboxylic acid
CID 151634107
ethyl 5-methyl-2-[2-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxylate
CID 116526140
2-methyl-6-[2-(trifluoromethyl)phenyl]pyridine-3-carboxylic acid
CID 112694386
[2-methyl-5-[2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]carbamic acid
CID 123391936
methyl 2-[(2,5-dimethyl-1,3-thiazole-4-carbonyl)amino]benzoate
CID 110861554
3-(1-methylpyrazol-3-yl)-N-(2-phenylimidazo[1,2-b]pyridazin-3-yl)-4-(trifluoromethyl)benzamide
CID 118395423

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-N-[2-methyl-6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-3-yl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2,5-dimethyl-N-[2-methyl-6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-3-yl]-1,3-thiazole-4-carboxamide (CID 71525675) is 2,5-dimethyl-N-[2-methyl-6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-3-yl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2,5-dimethyl-N-[2-methyl-6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-3-yl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2,5-dimethyl-N-[2-methyl-6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-3-yl]-1,3-thiazole-4-carboxamide is Cc1nc(C(=O)Nc2c(C)nc3ccc(-c4ccccc4C(F)(F)F)nn23)c(C)s1.
What is the InChIKey of 2,5-dimethyl-N-[2-methyl-6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-3-yl]-1,3-thiazole-4-carboxamide?
The InChIKey is ZCNWTHGPQSIXED-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F3N5OS/c1-10-18(26-19(29)17-11(2)30-12(3)25-17)28-16(24-10)9-8-15(27-28)13-6-4-5-7-14(13)20(21,22)23/h4-9H,1-3H3,(H,26,29).
What are the key properties of 2,5-dimethyl-N-[2-methyl-6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-3-yl]-1,3-thiazole-4-carboxamide?
2,5-dimethyl-N-[2-methyl-6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-3-yl]-1,3-thiazole-4-carboxamide has a molecular weight of 431.44 g/mol, XLogP of 5.05, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-N-[2-methyl-6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-3-yl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 71525675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).