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

C16H13Cl2N3O2S — CID 51111624

IUPAC4,5-dichloro-2-[[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]pyridazin-3-one
SMILESCc1ccc(OCc2nc(Cn3ncc(Cl)c(Cl)c3=O)cs2)cc1
InChIInChI=1S/C16H13Cl2N3O2S/c1-10-2-4-12(5-3-10)23-8-14-20-11(9-24-14)7-21-16(22)15(18)13(17)6-19-21/h2-6,9H,7-8H2,1H3
InChIKeyKWDMNMCZSGECKV-UHFFFAOYSA-N
MW382.27 g/mol
LogP3.94
Rot. Bonds5

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

4,5-dichloro-2-[[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]pyridazin-3-one (PubChem CID 51111624) has the molecular formula C16H13Cl2N3O2S and a molecular weight of 382.27 g/mol. Its IUPAC name is 4,5-dichloro-2-[[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]pyridazin-3-one.

Molecular Properties

Compound Name4,5-dichloro-2-[[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]pyridazin-3-one
PubChem CID51111624
Molecular FormulaC16H13Cl2N3O2S
Molecular Weight382.27 g/mol
Exact Mass381.01
IUPAC Name4,5-dichloro-2-[[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]pyridazin-3-one
SMILESCc1ccc(OCc2nc(Cn3ncc(Cl)c(Cl)c3=O)cs2)cc1
InChIInChI=1S/C16H13Cl2N3O2S/c1-10-2-4-12(5-3-10)23-8-14-20-11(9-24-14)7-21-16(22)15(18)13(17)6-19-21/h2-6,9H,7-8H2,1H3
InChIKeyKWDMNMCZSGECKV-UHFFFAOYSA-N
XLogP3.94
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.27
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-[[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]thieno[2,3-d]pyrimidin-4-one
CID 46678669
4,5-dichloro-2-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]pyridazin-3-one
CID 16560641
[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]methanamine;hydrochloride
CID 127501309
N-(6-chloropyrazin-2-yl)-2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]acetamide
CID 47090661
N-[(2,3-dichlorophenyl)methyl]-N-methyl-2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]acetamide
CID 31144646
2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]-N'-(2,4,6-trichlorophenyl)acetohydrazide
CID 27895579
4-methyl-2-[(4-methylphenoxy)methyl]-1,3-thiazole
CID 78998169
3-[[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]methyl]thieno[2,3-d]pyrimidin-4-one
CID 25352957
1-[[2-[(4-fluorophenoxy)methyl]-1,3-thiazol-4-yl]methyl]-4-thiophen-2-yltetrazol-5-one
CID 46516980
4-[(2-chloro-4-nitrophenoxy)methyl]-2-[(4-methylphenoxy)methyl]-1,3-thiazole
CID 52545143
N-(1-aminopropan-2-yl)-N-methyl-2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]acetamide
CID 119583421
2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]-N-phenylacetamide
CID 17395247

Frequently Asked Questions

What is the IUPAC name of 4,5-dichloro-2-[[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]pyridazin-3-one?
The IUPAC name of 4,5-dichloro-2-[[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]pyridazin-3-one (CID 51111624) is 4,5-dichloro-2-[[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]pyridazin-3-one.
What is the SMILES notation for 4,5-dichloro-2-[[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]pyridazin-3-one?
The canonical SMILES for 4,5-dichloro-2-[[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]pyridazin-3-one is Cc1ccc(OCc2nc(Cn3ncc(Cl)c(Cl)c3=O)cs2)cc1.
What is the InChIKey of 4,5-dichloro-2-[[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]pyridazin-3-one?
The InChIKey is KWDMNMCZSGECKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13Cl2N3O2S/c1-10-2-4-12(5-3-10)23-8-14-20-11(9-24-14)7-21-16(22)15(18)13(17)6-19-21/h2-6,9H,7-8H2,1H3.
What are the key properties of 4,5-dichloro-2-[[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]pyridazin-3-one?
4,5-dichloro-2-[[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]pyridazin-3-one has a molecular weight of 382.27 g/mol, XLogP of 3.94, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dichloro-2-[[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]pyridazin-3-one is sourced from PubChem (CID 51111624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).