6-tert-butyl-2-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]pyridazin-3-one

C14H19N3OS — CID 71921634

IUPAC6-tert-butyl-2-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]pyridazin-3-one
SMILESCc1nc(Cn2nc(C(C)(C)C)ccc2=O)sc1C
InChIInChI=1S/C14H19N3OS/c1-9-10(2)19-12(15-9)8-17-13(18)7-6-11(16-17)14(3,4)5/h6-7H,8H2,1-5H3
InChIKeyYGJGPQHOZHZWPN-UHFFFAOYSA-N
MW277.39 g/mol
LogP2.66
Rot. Bonds2

About 6-tert-butyl-2-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]pyridazin-3-one

6-tert-butyl-2-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]pyridazin-3-one (PubChem CID 71921634) has the molecular formula C14H19N3OS and a molecular weight of 277.39 g/mol. Its IUPAC name is 6-tert-butyl-2-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]pyridazin-3-one.

Molecular Properties

Compound Name6-tert-butyl-2-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]pyridazin-3-one
PubChem CID71921634
Molecular FormulaC14H19N3OS
Molecular Weight277.39 g/mol
Exact Mass277.12
IUPAC Name6-tert-butyl-2-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]pyridazin-3-one
SMILESCc1nc(Cn2nc(C(C)(C)C)ccc2=O)sc1C
InChIInChI=1S/C14H19N3OS/c1-9-10(2)19-12(15-9)8-17-13(18)7-6-11(16-17)14(3,4)5/h6-7H,8H2,1-5H3
InChIKeyYGJGPQHOZHZWPN-UHFFFAOYSA-N
XLogP2.66
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.39
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 6-tert-butyl-2-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]pyridazin-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-2-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]pyridazin-3-one?
The IUPAC name of 6-tert-butyl-2-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]pyridazin-3-one (CID 71921634) is 6-tert-butyl-2-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]pyridazin-3-one.
What is the SMILES notation for 6-tert-butyl-2-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]pyridazin-3-one?
The canonical SMILES for 6-tert-butyl-2-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]pyridazin-3-one is Cc1nc(Cn2nc(C(C)(C)C)ccc2=O)sc1C.
What is the InChIKey of 6-tert-butyl-2-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]pyridazin-3-one?
The InChIKey is YGJGPQHOZHZWPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3OS/c1-9-10(2)19-12(15-9)8-17-13(18)7-6-11(16-17)14(3,4)5/h6-7H,8H2,1-5H3.
What are the key properties of 6-tert-butyl-2-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]pyridazin-3-one?
6-tert-butyl-2-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]pyridazin-3-one has a molecular weight of 277.39 g/mol, XLogP of 2.66, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-2-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]pyridazin-3-one is sourced from PubChem (CID 71921634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).