N-(4,5-dimethyl-1,3-thiazol-2-yl)-6-imidazol-1-ylpyridazine-3-carboxamide

C13H12N6OS — CID 71791758

IUPACN-(4,5-dimethyl-1,3-thiazol-2-yl)-6-imidazol-1-ylpyridazine-3-carboxamide
SMILESCc1nc(NC(=O)c2ccc(-n3ccnc3)nn2)sc1C
InChIInChI=1S/C13H12N6OS/c1-8-9(2)21-13(15-8)16-12(20)10-3-4-11(18-17-10)19-6-5-14-7-19/h3-7H,1-2H3,(H,15,16,20)
InChIKeyGZSAPTFXFKATRV-UHFFFAOYSA-N
MW300.35 g/mol
LogP1.99
Rot. Bonds3

About N-(4,5-dimethyl-1,3-thiazol-2-yl)-6-imidazol-1-ylpyridazine-3-carboxamide

N-(4,5-dimethyl-1,3-thiazol-2-yl)-6-imidazol-1-ylpyridazine-3-carboxamide (PubChem CID 71791758) has the molecular formula C13H12N6OS and a molecular weight of 300.35 g/mol. Its IUPAC name is N-(4,5-dimethyl-1,3-thiazol-2-yl)-6-imidazol-1-ylpyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(4,5-dimethyl-1,3-thiazol-2-yl)-6-imidazol-1-ylpyridazine-3-carboxamide
PubChem CID71791758
Molecular FormulaC13H12N6OS
Molecular Weight300.35 g/mol
Exact Mass300.08
IUPAC NameN-(4,5-dimethyl-1,3-thiazol-2-yl)-6-imidazol-1-ylpyridazine-3-carboxamide
SMILESCc1nc(NC(=O)c2ccc(-n3ccnc3)nn2)sc1C
InChIInChI=1S/C13H12N6OS/c1-8-9(2)21-13(15-8)16-12(20)10-3-4-11(18-17-10)19-6-5-14-7-19/h3-7H,1-2H3,(H,15,16,20)
InChIKeyGZSAPTFXFKATRV-UHFFFAOYSA-N
XLogP1.99
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.35
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]-N,N,4-trimethyl-1,3-thiazole-5-carboxamide
CID 121114149
N-(3,5-dimethylphenyl)-6-imidazol-1-ylpyridazine-3-carboxamide
CID 121114061
6-imidazol-1-yl-N-(2-methyl-1,3-benzothiazol-5-yl)pyridazine-3-carboxamide
CID 71791752
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-pyridin-3-ylpyridazine-3-carboxamide
CID 121114046
2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]cyclohexene-1-carboxylic acid
CID 139444254
ethyl 2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]cyclopentene-1-carboxylate
CID 139444570
6-imidazol-1-yl-N-[(4-methylphenyl)methyl]pyridazine-3-carboxamide
CID 121114057
6-imidazol-1-yl-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]pyridazine-3-carboxamide
CID 71791757
N-(3-chloro-4-methoxyphenyl)-6-imidazol-1-ylpyridazine-3-carboxamide
CID 121114186
methyl 3-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]pyridine-4-carboxylate
CID 156578747

Frequently Asked Questions

What is the IUPAC name of N-(4,5-dimethyl-1,3-thiazol-2-yl)-6-imidazol-1-ylpyridazine-3-carboxamide?
The IUPAC name of N-(4,5-dimethyl-1,3-thiazol-2-yl)-6-imidazol-1-ylpyridazine-3-carboxamide (CID 71791758) is N-(4,5-dimethyl-1,3-thiazol-2-yl)-6-imidazol-1-ylpyridazine-3-carboxamide.
What is the SMILES notation for N-(4,5-dimethyl-1,3-thiazol-2-yl)-6-imidazol-1-ylpyridazine-3-carboxamide?
The canonical SMILES for N-(4,5-dimethyl-1,3-thiazol-2-yl)-6-imidazol-1-ylpyridazine-3-carboxamide is Cc1nc(NC(=O)c2ccc(-n3ccnc3)nn2)sc1C.
What is the InChIKey of N-(4,5-dimethyl-1,3-thiazol-2-yl)-6-imidazol-1-ylpyridazine-3-carboxamide?
The InChIKey is GZSAPTFXFKATRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N6OS/c1-8-9(2)21-13(15-8)16-12(20)10-3-4-11(18-17-10)19-6-5-14-7-19/h3-7H,1-2H3,(H,15,16,20).
What are the key properties of N-(4,5-dimethyl-1,3-thiazol-2-yl)-6-imidazol-1-ylpyridazine-3-carboxamide?
N-(4,5-dimethyl-1,3-thiazol-2-yl)-6-imidazol-1-ylpyridazine-3-carboxamide has a molecular weight of 300.35 g/mol, XLogP of 1.99, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5-dimethyl-1,3-thiazol-2-yl)-6-imidazol-1-ylpyridazine-3-carboxamide is sourced from PubChem (CID 71791758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).