(4-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)-(2-methoxy-4-methyl-1,3-thiazol-5-yl)methanone

C16H18N6O2S — CID 118792467

IUPAC(4-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)-(2-methoxy-4-methyl-1,3-thiazol-5-yl)methanone
SMILESCOc1nc(C)c(C(=O)N2CCN(c3ccc4nccn4n3)CC2)s1
InChIInChI=1S/C16H18N6O2S/c1-11-14(25-16(18-11)24-2)15(23)21-9-7-20(8-10-21)13-4-3-12-17-5-6-22(12)19-13/h3-6H,7-10H2,1-2H3
InChIKeyVPFGEHYHJOTOEP-UHFFFAOYSA-N
MW358.43 g/mol
LogP1.47
Rot. Bonds3

About (4-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)-(2-methoxy-4-methyl-1,3-thiazol-5-yl)methanone

(4-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)-(2-methoxy-4-methyl-1,3-thiazol-5-yl)methanone (PubChem CID 118792467) has the molecular formula C16H18N6O2S and a molecular weight of 358.43 g/mol. Its IUPAC name is (4-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)-(2-methoxy-4-methyl-1,3-thiazol-5-yl)methanone.

Molecular Properties

Compound Name(4-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)-(2-methoxy-4-methyl-1,3-thiazol-5-yl)methanone
PubChem CID118792467
Molecular FormulaC16H18N6O2S
Molecular Weight358.43 g/mol
Exact Mass358.12
IUPAC Name(4-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)-(2-methoxy-4-methyl-1,3-thiazol-5-yl)methanone
SMILESCOc1nc(C)c(C(=O)N2CCN(c3ccc4nccn4n3)CC2)s1
InChIInChI=1S/C16H18N6O2S/c1-11-14(25-16(18-11)24-2)15(23)21-9-7-20(8-10-21)13-4-3-12-17-5-6-22(12)19-13/h3-6H,7-10H2,1-2H3
InChIKeyVPFGEHYHJOTOEP-UHFFFAOYSA-N
XLogP1.47
TPSA75.86 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.43
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

(4-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)-(1,2,5-trimethylpyrrol-3-yl)methanone
CID 90653625
4-(4-imidazo[1,2-b]pyridazin-6-ylpiperazine-1-carbonyl)-N,N-dimethylbenzenesulfonamide
CID 134310589
1-[4-(4-imidazo[1,2-b]pyridazin-6-ylpiperazine-1-carbonyl)piperidin-1-yl]ethanone
CID 91830679
(4-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)-[2-(trifluoromethyl)phenyl]methanone
CID 141143818
(1-ethyl-3-propan-2-ylpyrazol-5-yl)-(4-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)methanone
CID 118760650
(4-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)-(4-pyrrolidin-1-ylsulfonylphenyl)methanone
CID 134310595
4-imidazo[1,2-b]pyridazin-6-yl-N-[(1R)-1-(2-methyl-1,3-thiazol-4-yl)ethyl]piperazine-1-carboxamide
CID 126432065
6-piperidin-1-ylimidazo[1,2-b]pyridazine
CID 23657730
(2S)-1-(azepan-1-yl)-2-(4-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)propan-1-one
CID 125157813
1-imidazo[1,2-b]pyridazin-6-ylpiperidin-4-ol
CID 131704101
[4-[6-(azepan-1-yl)pyridazin-3-yl]piperazin-1-yl]-(2,4-dimethyl-1,3-thiazol-5-yl)methanone
CID 121053835
1-(4-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)-3-(1-methylpiperidin-4-yl)propan-1-one
CID 119068341

Frequently Asked Questions

What is the IUPAC name of (4-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)-(2-methoxy-4-methyl-1,3-thiazol-5-yl)methanone?
The IUPAC name of (4-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)-(2-methoxy-4-methyl-1,3-thiazol-5-yl)methanone (CID 118792467) is (4-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)-(2-methoxy-4-methyl-1,3-thiazol-5-yl)methanone.
What is the SMILES notation for (4-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)-(2-methoxy-4-methyl-1,3-thiazol-5-yl)methanone?
The canonical SMILES for (4-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)-(2-methoxy-4-methyl-1,3-thiazol-5-yl)methanone is COc1nc(C)c(C(=O)N2CCN(c3ccc4nccn4n3)CC2)s1.
What is the InChIKey of (4-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)-(2-methoxy-4-methyl-1,3-thiazol-5-yl)methanone?
The InChIKey is VPFGEHYHJOTOEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N6O2S/c1-11-14(25-16(18-11)24-2)15(23)21-9-7-20(8-10-21)13-4-3-12-17-5-6-22(12)19-13/h3-6H,7-10H2,1-2H3.
What are the key properties of (4-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)-(2-methoxy-4-methyl-1,3-thiazol-5-yl)methanone?
(4-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)-(2-methoxy-4-methyl-1,3-thiazol-5-yl)methanone has a molecular weight of 358.43 g/mol, XLogP of 1.47, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (4-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)-(2-methoxy-4-methyl-1,3-thiazol-5-yl)methanone is sourced from PubChem (CID 118792467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).