5-(2-amino-1,3-thiazol-4-yl)-3-(3,4-dimethylphenyl)-1H-pyridazin-6-one

C15H14N4OS — CID 82445602

IUPAC5-(2-amino-1,3-thiazol-4-yl)-3-(3,4-dimethylphenyl)-1H-pyridazin-6-one
SMILESCc1ccc(-c2cc(-c3csc(N)n3)c(=O)[nH]n2)cc1C
InChIInChI=1S/C15H14N4OS/c1-8-3-4-10(5-9(8)2)12-6-11(14(20)19-18-12)13-7-21-15(16)17-13/h3-7H,1-2H3,(H2,16,17)(H,19,20)
InChIKeyONBMNSJLWGVOMA-UHFFFAOYSA-N
MW298.37 g/mol
LogP2.76
Rot. Bonds2

About 5-(2-amino-1,3-thiazol-4-yl)-3-(3,4-dimethylphenyl)-1H-pyridazin-6-one

5-(2-amino-1,3-thiazol-4-yl)-3-(3,4-dimethylphenyl)-1H-pyridazin-6-one (PubChem CID 82445602) has the molecular formula C15H14N4OS and a molecular weight of 298.37 g/mol. Its IUPAC name is 5-(2-amino-1,3-thiazol-4-yl)-3-(3,4-dimethylphenyl)-1H-pyridazin-6-one.

Molecular Properties

Compound Name5-(2-amino-1,3-thiazol-4-yl)-3-(3,4-dimethylphenyl)-1H-pyridazin-6-one
PubChem CID82445602
Molecular FormulaC15H14N4OS
Molecular Weight298.37 g/mol
Exact Mass298.09
IUPAC Name5-(2-amino-1,3-thiazol-4-yl)-3-(3,4-dimethylphenyl)-1H-pyridazin-6-one
SMILESCc1ccc(-c2cc(-c3csc(N)n3)c(=O)[nH]n2)cc1C
InChIInChI=1S/C15H14N4OS/c1-8-3-4-10(5-9(8)2)12-6-11(14(20)19-18-12)13-7-21-15(16)17-13/h3-7H,1-2H3,(H2,16,17)(H,19,20)
InChIKeyONBMNSJLWGVOMA-UHFFFAOYSA-N
XLogP2.76
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.37
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(3,4-dimethylphenyl)-1,3-thiazol-2-amine;hydrochloride
CID 2870539
7-(2-amino-1,3-thiazol-4-yl)-1,5-dihydro-1,5-benzodiazepine-2,4-dione
CID 20983674
4-(3,4-dimethylphenyl)-1,3-thiazole-2-carboxamide
CID 19375996
2-amino-5-(3,4-dimethylphenyl)-3H-thieno[2,3-d]pyrimidin-4-one
CID 82055590
[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]hydrazine
CID 7174047
4-(2-methyl-5-propan-2-ylphenyl)-1,3-thiazol-2-amine
CID 82495942
[2-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]phenyl]methanamine
CID 20983796
4-[3-(2-amino-1,3-thiazol-4-yl)phenyl]-2-methylbenzoic acid
CID 155410143
5-(3-chloro-4-methylthiophen-2-yl)-4-(3,4-dimethylphenyl)-1H-pyrazol-3-amine
CID 103402151
5-(2-amino-1,3-thiazol-4-yl)-3,3,7-trimethyl-1H-indol-2-one
CID 82104875
4-(2,5-dimethyl-1H-pyrrol-3-yl)-1,3-thiazol-2-amine
CID 82491191
2-(2-bromophenyl)-4-(3,4-dimethylphenyl)-1,3-thiazole
CID 79832425

Frequently Asked Questions

What is the IUPAC name of 5-(2-amino-1,3-thiazol-4-yl)-3-(3,4-dimethylphenyl)-1H-pyridazin-6-one?
The IUPAC name of 5-(2-amino-1,3-thiazol-4-yl)-3-(3,4-dimethylphenyl)-1H-pyridazin-6-one (CID 82445602) is 5-(2-amino-1,3-thiazol-4-yl)-3-(3,4-dimethylphenyl)-1H-pyridazin-6-one.
What is the SMILES notation for 5-(2-amino-1,3-thiazol-4-yl)-3-(3,4-dimethylphenyl)-1H-pyridazin-6-one?
The canonical SMILES for 5-(2-amino-1,3-thiazol-4-yl)-3-(3,4-dimethylphenyl)-1H-pyridazin-6-one is Cc1ccc(-c2cc(-c3csc(N)n3)c(=O)[nH]n2)cc1C.
What is the InChIKey of 5-(2-amino-1,3-thiazol-4-yl)-3-(3,4-dimethylphenyl)-1H-pyridazin-6-one?
The InChIKey is ONBMNSJLWGVOMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4OS/c1-8-3-4-10(5-9(8)2)12-6-11(14(20)19-18-12)13-7-21-15(16)17-13/h3-7H,1-2H3,(H2,16,17)(H,19,20).
What are the key properties of 5-(2-amino-1,3-thiazol-4-yl)-3-(3,4-dimethylphenyl)-1H-pyridazin-6-one?
5-(2-amino-1,3-thiazol-4-yl)-3-(3,4-dimethylphenyl)-1H-pyridazin-6-one has a molecular weight of 298.37 g/mol, XLogP of 2.76, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-amino-1,3-thiazol-4-yl)-3-(3,4-dimethylphenyl)-1H-pyridazin-6-one is sourced from PubChem (CID 82445602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).