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

C13H18N4OS — CID 82442688

IUPAC2,6-dimethyl-4-[2-(2-methylpropylamino)-1,3-thiazol-4-yl]pyridazin-3-one
SMILESCc1cc(-c2csc(NCC(C)C)n2)c(=O)n(C)n1
InChIInChI=1S/C13H18N4OS/c1-8(2)6-14-13-15-11(7-19-13)10-5-9(3)16-17(4)12(10)18/h5,7-8H,6H2,1-4H3,(H,14,15)
InChIKeyHFNTZGYQTGTZSL-UHFFFAOYSA-N
MW278.38 g/mol
LogP2.28
Rot. Bonds4

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

2,6-dimethyl-4-[2-(2-methylpropylamino)-1,3-thiazol-4-yl]pyridazin-3-one (PubChem CID 82442688) has the molecular formula C13H18N4OS and a molecular weight of 278.38 g/mol. Its IUPAC name is 2,6-dimethyl-4-[2-(2-methylpropylamino)-1,3-thiazol-4-yl]pyridazin-3-one.

Molecular Properties

Compound Name2,6-dimethyl-4-[2-(2-methylpropylamino)-1,3-thiazol-4-yl]pyridazin-3-one
PubChem CID82442688
Molecular FormulaC13H18N4OS
Molecular Weight278.38 g/mol
Exact Mass278.12
IUPAC Name2,6-dimethyl-4-[2-(2-methylpropylamino)-1,3-thiazol-4-yl]pyridazin-3-one
SMILESCc1cc(-c2csc(NCC(C)C)n2)c(=O)n(C)n1
InChIInChI=1S/C13H18N4OS/c1-8(2)6-14-13-15-11(7-19-13)10-5-9(3)16-17(4)12(10)18/h5,7-8H,6H2,1-4H3,(H,14,15)
InChIKeyHFNTZGYQTGTZSL-UHFFFAOYSA-N
XLogP2.28
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.38
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2,6-dimethyl-4-[2-(methylamino)-1,3-thiazol-4-yl]pyridazin-3-one
CID 82442682
4-[2-(ethylamino)-1,3-thiazol-4-yl]-6-methyl-2-propylpyridazin-3-one
CID 82442840
4-(1,3-dimethylpyrazol-4-yl)-N-(2-methylpropyl)-1,3-thiazol-2-amine
CID 63931625
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-(2-methylpropyl)-1,3-thiazol-2-amine
CID 55027261
2,6-dimethyl-4-[(2-methylpropylamino)methyl]pyridazin-3-one
CID 82442625
N-(2-methylpropyl)-4-(3-methylthiophen-2-yl)-1,3-thiazol-2-amine
CID 63992614
4-(5-bromofuran-2-yl)-N-(2-methylpropyl)-1,3-thiazol-2-amine
CID 104653304
N-(2-methylpropyl)-4-(4-propan-2-ylphenyl)-1,3-thiazol-2-amine
CID 60642186
N-(2,5-dimethylpyrazol-3-yl)-4-(4-methylphenyl)-1,3-thiazol-2-amine
CID 25498040

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-4-[2-(2-methylpropylamino)-1,3-thiazol-4-yl]pyridazin-3-one?
The IUPAC name of 2,6-dimethyl-4-[2-(2-methylpropylamino)-1,3-thiazol-4-yl]pyridazin-3-one (CID 82442688) is 2,6-dimethyl-4-[2-(2-methylpropylamino)-1,3-thiazol-4-yl]pyridazin-3-one.
What is the SMILES notation for 2,6-dimethyl-4-[2-(2-methylpropylamino)-1,3-thiazol-4-yl]pyridazin-3-one?
The canonical SMILES for 2,6-dimethyl-4-[2-(2-methylpropylamino)-1,3-thiazol-4-yl]pyridazin-3-one is Cc1cc(-c2csc(NCC(C)C)n2)c(=O)n(C)n1.
What is the InChIKey of 2,6-dimethyl-4-[2-(2-methylpropylamino)-1,3-thiazol-4-yl]pyridazin-3-one?
The InChIKey is HFNTZGYQTGTZSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4OS/c1-8(2)6-14-13-15-11(7-19-13)10-5-9(3)16-17(4)12(10)18/h5,7-8H,6H2,1-4H3,(H,14,15).
What are the key properties of 2,6-dimethyl-4-[2-(2-methylpropylamino)-1,3-thiazol-4-yl]pyridazin-3-one?
2,6-dimethyl-4-[2-(2-methylpropylamino)-1,3-thiazol-4-yl]pyridazin-3-one has a molecular weight of 278.38 g/mol, XLogP of 2.28, 4 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-(2-methylpropylamino)-1,3-thiazol-4-yl]pyridazin-3-one is sourced from PubChem (CID 82442688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).