2-[[1-(6-imidazol-1-ylpyridazin-3-yl)piperidine-3-carbonyl]amino]-N,N,4-trimethyl-1,3-thiazole-5-carboxamide

C20H24N8O2S — CID 90514866

IUPAC2-[[1-(6-imidazol-1-ylpyridazin-3-yl)piperidine-3-carbonyl]amino]-N,N,4-trimethyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(NC(=O)C2CCCN(c3ccc(-n4ccnc4)nn3)C2)sc1C(=O)N(C)C
InChIInChI=1S/C20H24N8O2S/c1-13-17(19(30)26(2)3)31-20(22-13)23-18(29)14-5-4-9-27(11-14)15-6-7-16(25-24-15)28-10-8-21-12-28/h6-8,10,12,14H,4-5,9,11H2,1-3H3,(H,22,23,29)
InChIKeyOIVNHEBYPLKRQV-UHFFFAOYSA-N
MW440.53 g/mol
LogP1.98
Rot. Bonds5

About 2-[[1-(6-imidazol-1-ylpyridazin-3-yl)piperidine-3-carbonyl]amino]-N,N,4-trimethyl-1,3-thiazole-5-carboxamide

2-[[1-(6-imidazol-1-ylpyridazin-3-yl)piperidine-3-carbonyl]amino]-N,N,4-trimethyl-1,3-thiazole-5-carboxamide (PubChem CID 90514866) has the molecular formula C20H24N8O2S and a molecular weight of 440.53 g/mol. Its IUPAC name is 2-[[1-(6-imidazol-1-ylpyridazin-3-yl)piperidine-3-carbonyl]amino]-N,N,4-trimethyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-[[1-(6-imidazol-1-ylpyridazin-3-yl)piperidine-3-carbonyl]amino]-N,N,4-trimethyl-1,3-thiazole-5-carboxamide
PubChem CID90514866
Molecular FormulaC20H24N8O2S
Molecular Weight440.53 g/mol
Exact Mass440.17
IUPAC Name2-[[1-(6-imidazol-1-ylpyridazin-3-yl)piperidine-3-carbonyl]amino]-N,N,4-trimethyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(NC(=O)C2CCCN(c3ccc(-n4ccnc4)nn3)C2)sc1C(=O)N(C)C
InChIInChI=1S/C20H24N8O2S/c1-13-17(19(30)26(2)3)31-20(22-13)23-18(29)14-5-4-9-27(11-14)15-6-7-16(25-24-15)28-10-8-21-12-28/h6-8,10,12,14H,4-5,9,11H2,1-3H3,(H,22,23,29)
InChIKeyOIVNHEBYPLKRQV-UHFFFAOYSA-N
XLogP1.98
TPSA109.14 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.53
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 2-[[1-(6-imidazol-1-ylpyridazin-3-yl)piperidine-3-carbonyl]amino]-N,N,4-trimethyl-1,3-thiazole-5-carboxamide with MolForge

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Related Compounds

1-(6-imidazol-1-ylpyridazin-3-yl)-N-(4-methyl-1,3-thiazol-2-yl)piperidine-3-carboxamide
CID 90514767
2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]-N,N,4-trimethyl-1,3-thiazole-5-carboxamide
CID 121114149
N-(2,6-dimethylphenyl)-1-(6-imidazol-1-ylpyridazin-3-yl)piperidine-3-carboxamide
CID 90514780
N,N,4-trimethyl-2-[[(3S)-1-(6-pyrazol-1-ylpyrimidin-4-yl)piperidine-3-carbonyl]amino]-1,3-thiazole-5-carboxamide
CID 95367717
N-(4-fluorophenyl)-1-(6-imidazol-1-ylpyridazin-3-yl)piperidine-3-carboxamide
CID 90514741
(3R)-N-(3-fluoro-4-methylphenyl)-1-(6-imidazol-1-ylpyridazin-3-yl)piperidine-3-carboxamide
CID 52907702
N-(3-chloro-2-methylphenyl)-1-(6-imidazol-1-ylpyridazin-3-yl)piperidine-3-carboxamide
CID 90514810
2-[[1-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]piperidine-3-carbonyl]amino]-N,N,4-trimethyl-1,3-thiazole-5-carboxamide
CID 90520886
1-(6-imidazol-1-ylpyridazin-3-yl)-N-(2-methylsulfanylphenyl)piperidine-3-carboxamide
CID 52993023
N-(3,4-difluorophenyl)-1-(6-imidazol-1-ylpyridazin-3-yl)piperidine-3-carboxamide
CID 90514742
1-(6-imidazol-1-ylpyridazin-3-yl)-N-(2-methoxy-5-methylphenyl)piperidine-3-carboxamide
CID 90514804
N-(3-bromophenyl)-1-(6-imidazol-1-ylpyridazin-3-yl)piperidine-3-carboxamide
CID 90514823

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(6-imidazol-1-ylpyridazin-3-yl)piperidine-3-carbonyl]amino]-N,N,4-trimethyl-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-[[1-(6-imidazol-1-ylpyridazin-3-yl)piperidine-3-carbonyl]amino]-N,N,4-trimethyl-1,3-thiazole-5-carboxamide (CID 90514866) is 2-[[1-(6-imidazol-1-ylpyridazin-3-yl)piperidine-3-carbonyl]amino]-N,N,4-trimethyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-[[1-(6-imidazol-1-ylpyridazin-3-yl)piperidine-3-carbonyl]amino]-N,N,4-trimethyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-[[1-(6-imidazol-1-ylpyridazin-3-yl)piperidine-3-carbonyl]amino]-N,N,4-trimethyl-1,3-thiazole-5-carboxamide is Cc1nc(NC(=O)C2CCCN(c3ccc(-n4ccnc4)nn3)C2)sc1C(=O)N(C)C.
What is the InChIKey of 2-[[1-(6-imidazol-1-ylpyridazin-3-yl)piperidine-3-carbonyl]amino]-N,N,4-trimethyl-1,3-thiazole-5-carboxamide?
The InChIKey is OIVNHEBYPLKRQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N8O2S/c1-13-17(19(30)26(2)3)31-20(22-13)23-18(29)14-5-4-9-27(11-14)15-6-7-16(25-24-15)28-10-8-21-12-28/h6-8,10,12,14H,4-5,9,11H2,1-3H3,(H,22,23,29).
What are the key properties of 2-[[1-(6-imidazol-1-ylpyridazin-3-yl)piperidine-3-carbonyl]amino]-N,N,4-trimethyl-1,3-thiazole-5-carboxamide?
2-[[1-(6-imidazol-1-ylpyridazin-3-yl)piperidine-3-carbonyl]amino]-N,N,4-trimethyl-1,3-thiazole-5-carboxamide has a molecular weight of 440.53 g/mol, XLogP of 1.98, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(6-imidazol-1-ylpyridazin-3-yl)piperidine-3-carbonyl]amino]-N,N,4-trimethyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 90514866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).