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

C15H15N7O2S — CID 121114149

IUPAC2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]-N,N,4-trimethyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(NC(=O)c2ccc(-n3ccnc3)nn2)sc1C(=O)N(C)C
InChIInChI=1S/C15H15N7O2S/c1-9-12(14(24)21(2)3)25-15(17-9)18-13(23)10-4-5-11(20-19-10)22-7-6-16-8-22/h4-8H,1-3H3,(H,17,18,23)
InChIKeyFIERVPJULRIYNW-UHFFFAOYSA-N
MW357.40 g/mol
LogP1.38
Rot. Bonds4

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

2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]-N,N,4-trimethyl-1,3-thiazole-5-carboxamide (PubChem CID 121114149) has the molecular formula C15H15N7O2S and a molecular weight of 357.40 g/mol. Its IUPAC name is 2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]-N,N,4-trimethyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]-N,N,4-trimethyl-1,3-thiazole-5-carboxamide
PubChem CID121114149
Molecular FormulaC15H15N7O2S
Molecular Weight357.40 g/mol
Exact Mass357.10
IUPAC Name2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]-N,N,4-trimethyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(NC(=O)c2ccc(-n3ccnc3)nn2)sc1C(=O)N(C)C
InChIInChI=1S/C15H15N7O2S/c1-9-12(14(24)21(2)3)25-15(17-9)18-13(23)10-4-5-11(20-19-10)22-7-6-16-8-22/h4-8H,1-3H3,(H,17,18,23)
InChIKeyFIERVPJULRIYNW-UHFFFAOYSA-N
XLogP1.38
TPSA105.90 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.40
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-(4,5-dimethyl-1,3-thiazol-2-yl)-6-imidazol-1-ylpyridazine-3-carboxamide
CID 71791758
2-[[1-(6-imidazol-1-ylpyridazin-3-yl)piperidine-3-carbonyl]amino]-N,N,4-trimethyl-1,3-thiazole-5-carboxamide
CID 90514866
N,N,4-trimethyl-2-(pyrazine-2-carbonylamino)-1,3-thiazole-5-carboxamide
CID 4088894
N-(3,5-dimethylphenyl)-6-imidazol-1-ylpyridazine-3-carboxamide
CID 121114061
N,N,4-trimethyl-2-[(1-methyltriazole-4-carbonyl)amino]-1,3-thiazole-5-carboxamide
CID 110439852
6-imidazol-1-yl-N-(2-methyl-1,3-benzothiazol-5-yl)pyridazine-3-carboxamide
CID 71791752
1-N,2-N-bis[5-(dimethylcarbamoyl)-4-methyl-1,3-thiazol-2-yl]benzene-1,2-dicarboxamide
CID 4065247
N-(4-acetylphenyl)-6-imidazol-1-ylpyridazine-3-carboxamide
CID 121114037
N-(3-fluoro-4-methylphenyl)-6-imidazol-1-ylpyridazine-3-carboxamide
CID 121114084
6-imidazol-1-yl-N-[(4-methylphenyl)methyl]pyridazine-3-carboxamide
CID 121114057
6-imidazol-1-yl-N-pyridin-3-ylpyridazine-3-carboxamide
CID 121114046
2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]cyclohexene-1-carboxylic acid
CID 139444254

Frequently Asked Questions

What is the IUPAC name of 2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]-N,N,4-trimethyl-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]-N,N,4-trimethyl-1,3-thiazole-5-carboxamide (CID 121114149) is 2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]-N,N,4-trimethyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]-N,N,4-trimethyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]-N,N,4-trimethyl-1,3-thiazole-5-carboxamide is Cc1nc(NC(=O)c2ccc(-n3ccnc3)nn2)sc1C(=O)N(C)C.
What is the InChIKey of 2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]-N,N,4-trimethyl-1,3-thiazole-5-carboxamide?
The InChIKey is FIERVPJULRIYNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N7O2S/c1-9-12(14(24)21(2)3)25-15(17-9)18-13(23)10-4-5-11(20-19-10)22-7-6-16-8-22/h4-8H,1-3H3,(H,17,18,23).
What are the key properties of 2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]-N,N,4-trimethyl-1,3-thiazole-5-carboxamide?
2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]-N,N,4-trimethyl-1,3-thiazole-5-carboxamide has a molecular weight of 357.40 g/mol, XLogP of 1.38, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]-N,N,4-trimethyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 121114149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).