2,6-dimethyl-4-[2-(methylamino)-1,3-thiazol-4-yl]pyridazin-3-one

C10H12N4OS — CID 82442682

IUPAC2,6-dimethyl-4-[2-(methylamino)-1,3-thiazol-4-yl]pyridazin-3-one
SMILESCNc1nc(-c2cc(C)nn(C)c2=O)cs1
InChIInChI=1S/C10H12N4OS/c1-6-4-7(9(15)14(3)13-6)8-5-16-10(11-2)12-8/h4-5H,1-3H3,(H,11,12)
InChIKeyKOJXMBMEBUBCPC-UHFFFAOYSA-N
MW236.30 g/mol
LogP1.25
Rot. Bonds2

About 2,6-dimethyl-4-[2-(methylamino)-1,3-thiazol-4-yl]pyridazin-3-one

2,6-dimethyl-4-[2-(methylamino)-1,3-thiazol-4-yl]pyridazin-3-one (PubChem CID 82442682) has the molecular formula C10H12N4OS and a molecular weight of 236.30 g/mol. Its IUPAC name is 2,6-dimethyl-4-[2-(methylamino)-1,3-thiazol-4-yl]pyridazin-3-one.

Molecular Properties

Compound Name2,6-dimethyl-4-[2-(methylamino)-1,3-thiazol-4-yl]pyridazin-3-one
PubChem CID82442682
Molecular FormulaC10H12N4OS
Molecular Weight236.30 g/mol
Exact Mass236.07
IUPAC Name2,6-dimethyl-4-[2-(methylamino)-1,3-thiazol-4-yl]pyridazin-3-one
SMILESCNc1nc(-c2cc(C)nn(C)c2=O)cs1
InChIInChI=1S/C10H12N4OS/c1-6-4-7(9(15)14(3)13-6)8-5-16-10(11-2)12-8/h4-5H,1-3H3,(H,11,12)
InChIKeyKOJXMBMEBUBCPC-UHFFFAOYSA-N
XLogP1.25
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.30
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2,6-dimethyl-4-[2-(2-methylpropylamino)-1,3-thiazol-4-yl]pyridazin-3-one
CID 82442688
4-[2-(ethylamino)-1,3-thiazol-4-yl]-6-methyl-2-propylpyridazin-3-one
CID 82442840
6-methyl-4-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]-2-propylpyridazin-3-one
CID 82442841
2-ethyl-6-methyl-4-[2-(propylamino)-1,3-thiazol-4-yl]pyridazin-3-one
CID 82442767
2-butyl-6-methyl-4-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]pyridazin-3-one
CID 82442963
4-(2,4-dimethylphenyl)-N-methyl-1,3-thiazol-2-amine
CID 17465165
3-[2-(methylamino)-1,3-thiazol-4-yl]-1-propan-2-ylpyridin-2-one
CID 82527106
N-methyl-4-(2,7,8-trimethylquinolin-4-yl)-1,3-thiazol-2-amine
CID 82448433
4-(6-chloro-2-methylquinolin-4-yl)-N-methyl-1,3-thiazol-2-amine
CID 82449132
4-(3-isocyano-1-methylpyrazol-4-yl)-N-methyl-1,3-thiazol-2-amine
CID 58477483
N-(2,5-dimethylpyrazol-3-yl)-4-(4-methylphenyl)-1,3-thiazol-2-amine
CID 25498040
N-methyl-4-(3-methylazulen-1-yl)-1,3-thiazol-2-amine
CID 11436742

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-4-[2-(methylamino)-1,3-thiazol-4-yl]pyridazin-3-one?
The IUPAC name of 2,6-dimethyl-4-[2-(methylamino)-1,3-thiazol-4-yl]pyridazin-3-one (CID 82442682) is 2,6-dimethyl-4-[2-(methylamino)-1,3-thiazol-4-yl]pyridazin-3-one.
What is the SMILES notation for 2,6-dimethyl-4-[2-(methylamino)-1,3-thiazol-4-yl]pyridazin-3-one?
The canonical SMILES for 2,6-dimethyl-4-[2-(methylamino)-1,3-thiazol-4-yl]pyridazin-3-one is CNc1nc(-c2cc(C)nn(C)c2=O)cs1.
What is the InChIKey of 2,6-dimethyl-4-[2-(methylamino)-1,3-thiazol-4-yl]pyridazin-3-one?
The InChIKey is KOJXMBMEBUBCPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4OS/c1-6-4-7(9(15)14(3)13-6)8-5-16-10(11-2)12-8/h4-5H,1-3H3,(H,11,12).
What are the key properties of 2,6-dimethyl-4-[2-(methylamino)-1,3-thiazol-4-yl]pyridazin-3-one?
2,6-dimethyl-4-[2-(methylamino)-1,3-thiazol-4-yl]pyridazin-3-one has a molecular weight of 236.30 g/mol, XLogP of 1.25, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-4-[2-(methylamino)-1,3-thiazol-4-yl]pyridazin-3-one is sourced from PubChem (CID 82442682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).