5-(dimethylamino)-2-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]pyridazin-3-one

C13H18N4OS — CID 72852677

IUPAC5-(dimethylamino)-2-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]pyridazin-3-one
SMILESCCc1nc(C)sc1Cn1ncc(N(C)C)cc1=O
InChIInChI=1S/C13H18N4OS/c1-5-11-12(19-9(2)15-11)8-17-13(18)6-10(7-14-17)16(3)4/h6-7H,5,8H2,1-4H3
InChIKeyVCQKQGTWHFEHDH-UHFFFAOYSA-N
MW278.38 g/mol
LogP1.68
Rot. Bonds4

About 5-(dimethylamino)-2-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]pyridazin-3-one

5-(dimethylamino)-2-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]pyridazin-3-one (PubChem CID 72852677) has the molecular formula C13H18N4OS and a molecular weight of 278.38 g/mol. Its IUPAC name is 5-(dimethylamino)-2-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]pyridazin-3-one.

Molecular Properties

Compound Name5-(dimethylamino)-2-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]pyridazin-3-one
PubChem CID72852677
Molecular FormulaC13H18N4OS
Molecular Weight278.38 g/mol
Exact Mass278.12
IUPAC Name5-(dimethylamino)-2-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]pyridazin-3-one
SMILESCCc1nc(C)sc1Cn1ncc(N(C)C)cc1=O
InChIInChI=1S/C13H18N4OS/c1-5-11-12(19-9(2)15-11)8-17-13(18)6-10(7-14-17)16(3)4/h6-7H,5,8H2,1-4H3
InChIKeyVCQKQGTWHFEHDH-UHFFFAOYSA-N
XLogP1.68
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.38
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(dimethylamino)-2-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]pyridazin-3-one?
The IUPAC name of 5-(dimethylamino)-2-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]pyridazin-3-one (CID 72852677) is 5-(dimethylamino)-2-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]pyridazin-3-one.
What is the SMILES notation for 5-(dimethylamino)-2-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]pyridazin-3-one?
The canonical SMILES for 5-(dimethylamino)-2-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]pyridazin-3-one is CCc1nc(C)sc1Cn1ncc(N(C)C)cc1=O.
What is the InChIKey of 5-(dimethylamino)-2-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]pyridazin-3-one?
The InChIKey is VCQKQGTWHFEHDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4OS/c1-5-11-12(19-9(2)15-11)8-17-13(18)6-10(7-14-17)16(3)4/h6-7H,5,8H2,1-4H3.
What are the key properties of 5-(dimethylamino)-2-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]pyridazin-3-one?
5-(dimethylamino)-2-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]pyridazin-3-one has a molecular weight of 278.38 g/mol, XLogP of 1.68, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(dimethylamino)-2-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]pyridazin-3-one is sourced from PubChem (CID 72852677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).