N,N,4-trimethyl-2-[[2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)acetyl]amino]-1,3-thiazole-5-carboxamide

C16H17N7O3S — CID 56764835

IUPACN,N,4-trimethyl-2-[[2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)acetyl]amino]-1,3-thiazole-5-carboxamide
SMILESCc1nc(NC(=O)Cn2nc(-n3cccn3)ccc2=O)sc1C(=O)N(C)C
InChIInChI=1S/C16H17N7O3S/c1-10-14(15(26)21(2)3)27-16(18-10)19-12(24)9-23-13(25)6-5-11(20-23)22-8-4-7-17-22/h4-8H,9H2,1-3H3,(H,18,19,24)
InChIKeyXJMUHWJJPILHKK-UHFFFAOYSA-N
MW387.43 g/mol
LogP0.53
Rot. Bonds5

About N,N,4-trimethyl-2-[[2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)acetyl]amino]-1,3-thiazole-5-carboxamide

N,N,4-trimethyl-2-[[2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)acetyl]amino]-1,3-thiazole-5-carboxamide (PubChem CID 56764835) has the molecular formula C16H17N7O3S and a molecular weight of 387.43 g/mol. Its IUPAC name is N,N,4-trimethyl-2-[[2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)acetyl]amino]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN,N,4-trimethyl-2-[[2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)acetyl]amino]-1,3-thiazole-5-carboxamide
PubChem CID56764835
Molecular FormulaC16H17N7O3S
Molecular Weight387.43 g/mol
Exact Mass387.11
IUPAC NameN,N,4-trimethyl-2-[[2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)acetyl]amino]-1,3-thiazole-5-carboxamide
SMILESCc1nc(NC(=O)Cn2nc(-n3cccn3)ccc2=O)sc1C(=O)N(C)C
InChIInChI=1S/C16H17N7O3S/c1-10-14(15(26)21(2)3)27-16(18-10)19-12(24)9-23-13(25)6-5-11(20-23)22-8-4-7-17-22/h4-8H,9H2,1-3H3,(H,18,19,24)
InChIKeyXJMUHWJJPILHKK-UHFFFAOYSA-N
XLogP0.53
TPSA115.01 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.43
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)acetamide
CID 90517381
2-[[2-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]acetyl]amino]-N,N,4-trimethyl-1,3-thiazole-5-carboxamide
CID 90517782
N,N,4-trimethyl-2-[[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)acetyl]amino]-1,3-thiazole-5-carboxamide
CID 121049989
N-(2,3-dimethylphenyl)-2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)acetamide
CID 90517292
2-[3-(2,4-dioxopyrimidin-1-yl)propanoylamino]-N,N,4-trimethyl-1,3-thiazole-5-carboxamide
CID 108801599
N-(3-acetylphenyl)-2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)acetamide
CID 90517248
methyl 4-[[2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)acetyl]amino]benzoate
CID 90517251
N-(3-chlorophenyl)-2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)acetamide
CID 90517277
N,N,4-trimethyl-2-[[2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetyl]amino]-1,3-thiazole-5-carboxamide
CID 39757885
N-(3-methylsulfanylphenyl)-2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)acetamide
CID 90517378
N,N,4-trimethyl-2-[[2-[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]acetyl]amino]-1,3-thiazole-5-carboxamide
CID 92612705
5-[[5-(dimethylcarbamoyl)-4-methyl-1,3-thiazol-2-yl]amino]-5-oxopentanoic acid
CID 110442604

Frequently Asked Questions

What is the IUPAC name of N,N,4-trimethyl-2-[[2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)acetyl]amino]-1,3-thiazole-5-carboxamide?
The IUPAC name of N,N,4-trimethyl-2-[[2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)acetyl]amino]-1,3-thiazole-5-carboxamide (CID 56764835) is N,N,4-trimethyl-2-[[2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)acetyl]amino]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N,N,4-trimethyl-2-[[2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)acetyl]amino]-1,3-thiazole-5-carboxamide?
The canonical SMILES for N,N,4-trimethyl-2-[[2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)acetyl]amino]-1,3-thiazole-5-carboxamide is Cc1nc(NC(=O)Cn2nc(-n3cccn3)ccc2=O)sc1C(=O)N(C)C.
What is the InChIKey of N,N,4-trimethyl-2-[[2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)acetyl]amino]-1,3-thiazole-5-carboxamide?
The InChIKey is XJMUHWJJPILHKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N7O3S/c1-10-14(15(26)21(2)3)27-16(18-10)19-12(24)9-23-13(25)6-5-11(20-23)22-8-4-7-17-22/h4-8H,9H2,1-3H3,(H,18,19,24).
What are the key properties of N,N,4-trimethyl-2-[[2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)acetyl]amino]-1,3-thiazole-5-carboxamide?
N,N,4-trimethyl-2-[[2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)acetyl]amino]-1,3-thiazole-5-carboxamide has a molecular weight of 387.43 g/mol, XLogP of 0.53, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,4-trimethyl-2-[[2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)acetyl]amino]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 56764835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).