5-[[3-carbamoyl-8-(methylamino)imidazo[1,2-b]pyridazin-6-yl]amino]-1,3-thiazole-4-carboxamide

C12H12N8O2S — CID 166879593

IUPAC5-[[3-carbamoyl-8-(methylamino)imidazo[1,2-b]pyridazin-6-yl]amino]-1,3-thiazole-4-carboxamide
SMILESCNc1cc(Nc2scnc2C(N)=O)nn2c(C(N)=O)cnc12
InChIInChI=1S/C12H12N8O2S/c1-15-5-2-7(18-12-8(10(14)22)17-4-23-12)19-20-6(9(13)21)3-16-11(5)20/h2-4,15H,1H3,(H2,13,21)(H2,14,22)(H,18,19)
InChIKeyCQRQDXZGDMAMOS-UHFFFAOYSA-N
MW332.35 g/mol
LogP0.17
Rot. Bonds5

About 5-[[3-carbamoyl-8-(methylamino)imidazo[1,2-b]pyridazin-6-yl]amino]-1,3-thiazole-4-carboxamide

5-[[3-carbamoyl-8-(methylamino)imidazo[1,2-b]pyridazin-6-yl]amino]-1,3-thiazole-4-carboxamide (PubChem CID 166879593) has the molecular formula C12H12N8O2S and a molecular weight of 332.35 g/mol. Its IUPAC name is 5-[[3-carbamoyl-8-(methylamino)imidazo[1,2-b]pyridazin-6-yl]amino]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name5-[[3-carbamoyl-8-(methylamino)imidazo[1,2-b]pyridazin-6-yl]amino]-1,3-thiazole-4-carboxamide
PubChem CID166879593
Molecular FormulaC12H12N8O2S
Molecular Weight332.35 g/mol
Exact Mass332.08
IUPAC Name5-[[3-carbamoyl-8-(methylamino)imidazo[1,2-b]pyridazin-6-yl]amino]-1,3-thiazole-4-carboxamide
SMILESCNc1cc(Nc2scnc2C(N)=O)nn2c(C(N)=O)cnc12
InChIInChI=1S/C12H12N8O2S/c1-15-5-2-7(18-12-8(10(14)22)17-4-23-12)19-20-6(9(13)21)3-16-11(5)20/h2-4,15H,1H3,(H2,13,21)(H2,14,22)(H,18,19)
InChIKeyCQRQDXZGDMAMOS-UHFFFAOYSA-N
XLogP0.17
TPSA153.32 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.35
LogP ≤ 50.17
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het_6_tetrazine(18)', 'substructure': 'N/A'}

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Related Compounds

4-[[3-(cyclopropylcarbamoyl)-8-(methylamino)imidazo[1,2-b]pyridazin-6-yl]amino]-N-methyl-1,2-thiazole-3-carboxamide
CID 134417201
N-cyclopentyl-6,8-bis(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide
CID 162764665
N-cyclopropyl-8-(methylamino)-6-[[5-(methylcarbamoyl)-1H-pyrazol-4-yl]amino]imidazo[1,2-b]pyridazine-3-carboxamide
CID 134417211
N-cyclopropyl-8-(methylamino)-6-[[2-(methylcarbamoyl)furan-3-yl]amino]imidazo[1,2-b]pyridazine-3-carboxamide
CID 134417195
6-anilino-N-[(1R,2S)-2-fluorocyclopropyl]-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide
CID 176629502
ethyl 6-chloro-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxylate
CID 155007539
N-cyclopropyl-8-(methylamino)-6-[[1-(6-methylpyridazin-3-yl)-2-oxo-3-pyridinyl]amino]imidazo[1,2-b]pyridazine-3-carboxamide
CID 155516134
N-(1-cyanocyclopropyl)-6-[(2-methoxy-3-pyridinyl)amino]-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide
CID 140943152
6-(2,3-dihydro-1,4-benzodioxin-5-ylamino)-8-(methylamino)-N-[(3R)-1-methyl-2-oxopyrrolidin-3-yl]imidazo[1,2-b]pyridazine-3-carboxamide
CID 163820029
6-[[1-(4-cyanophenyl)-2-oxo-3-pyridinyl]amino]-N-cyclopropyl-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide
CID 118139924
8-(methylamino)-N-[(3R)-1-methyl-2-(oxomethylidene)pyrrolidin-3-yl]-6-(2-methylsulfonylanilino)imidazo[1,2-b]pyridazine-3-carboxamide
CID 162733029
N-cyclopropyl-6-[[2,5-dimethyl-3-(phenylcarbamoyl)-1,5-dihydropyrazol-4-yl]amino]-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide
CID 153023042

Frequently Asked Questions

What is the IUPAC name of 5-[[3-carbamoyl-8-(methylamino)imidazo[1,2-b]pyridazin-6-yl]amino]-1,3-thiazole-4-carboxamide?
The IUPAC name of 5-[[3-carbamoyl-8-(methylamino)imidazo[1,2-b]pyridazin-6-yl]amino]-1,3-thiazole-4-carboxamide (CID 166879593) is 5-[[3-carbamoyl-8-(methylamino)imidazo[1,2-b]pyridazin-6-yl]amino]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 5-[[3-carbamoyl-8-(methylamino)imidazo[1,2-b]pyridazin-6-yl]amino]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 5-[[3-carbamoyl-8-(methylamino)imidazo[1,2-b]pyridazin-6-yl]amino]-1,3-thiazole-4-carboxamide is CNc1cc(Nc2scnc2C(N)=O)nn2c(C(N)=O)cnc12.
What is the InChIKey of 5-[[3-carbamoyl-8-(methylamino)imidazo[1,2-b]pyridazin-6-yl]amino]-1,3-thiazole-4-carboxamide?
The InChIKey is CQRQDXZGDMAMOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N8O2S/c1-15-5-2-7(18-12-8(10(14)22)17-4-23-12)19-20-6(9(13)21)3-16-11(5)20/h2-4,15H,1H3,(H2,13,21)(H2,14,22)(H,18,19).
What are the key properties of 5-[[3-carbamoyl-8-(methylamino)imidazo[1,2-b]pyridazin-6-yl]amino]-1,3-thiazole-4-carboxamide?
5-[[3-carbamoyl-8-(methylamino)imidazo[1,2-b]pyridazin-6-yl]amino]-1,3-thiazole-4-carboxamide has a molecular weight of 332.35 g/mol, XLogP of 0.17, 5 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[3-carbamoyl-8-(methylamino)imidazo[1,2-b]pyridazin-6-yl]amino]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 166879593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).