methyl 2-(6-chloropyridazin-3-yl)-1,3-thiazole-4-carboxylate

C9H6ClN3O2S — CID 169498441

IUPACmethyl 2-(6-chloropyridazin-3-yl)-1,3-thiazole-4-carboxylate
SMILESCOC(=O)c1csc(-c2ccc(Cl)nn2)n1
InChIInChI=1S/C9H6ClN3O2S/c1-15-9(14)6-4-16-8(11-6)5-2-3-7(10)13-12-5/h2-4H,1H3
InChIKeyXZYGDMJIKRDUTC-UHFFFAOYSA-N
MW255.69 g/mol
LogP2.04
Rot. Bonds2

About methyl 2-(6-chloropyridazin-3-yl)-1,3-thiazole-4-carboxylate

methyl 2-(6-chloropyridazin-3-yl)-1,3-thiazole-4-carboxylate (PubChem CID 169498441) has the molecular formula C9H6ClN3O2S and a molecular weight of 255.69 g/mol. Its IUPAC name is methyl 2-(6-chloropyridazin-3-yl)-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-(6-chloropyridazin-3-yl)-1,3-thiazole-4-carboxylate
PubChem CID169498441
Molecular FormulaC9H6ClN3O2S
Molecular Weight255.69 g/mol
Exact Mass254.99
IUPAC Namemethyl 2-(6-chloropyridazin-3-yl)-1,3-thiazole-4-carboxylate
SMILESCOC(=O)c1csc(-c2ccc(Cl)nn2)n1
InChIInChI=1S/C9H6ClN3O2S/c1-15-9(14)6-4-16-8(11-6)5-2-3-7(10)13-12-5/h2-4H,1H3
InChIKeyXZYGDMJIKRDUTC-UHFFFAOYSA-N
XLogP2.04
TPSA64.97 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.69
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 2-naphthalen-1-yl-1,3-thiazole-4-carboxylate
CID 113306366
methyl 2-(4-fluorophenyl)-1,3-thiazole-4-carboxylate
CID 67325329
methyl 2-(4-bromo-3-chlorophenyl)-1,3-thiazole-4-carboxylate
CID 103372618
methyl 2-(6-bromo-3-pyridinyl)-1,3-thiazole-4-carboxylate
CID 169498453
methyl 2-(2-ethylphenyl)-1,3-thiazole-4-carboxylate
CID 115422199
methyl 2-(1H-pyrrol-2-yl)-1,3-thiazole-4-carboxylate
CID 136984627
methyl 2-methyl-1,3-thiazole-4-carboxylate
CID 14812829
methyl 2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-1,3-thiazole-4-carboxylate
CID 58119370
methyl 2-(2-iodo-3-methylphenyl)-1,3-thiazole-4-carboxylate
CID 169498575
methyl 2-(4-propan-2-ylanilino)-1,3-thiazole-4-carboxylate
CID 113306613
methyl 2-(chloromethyl)-1,3-thiazole-4-carboxylate
CID 25067319
ethyl 2-(4,6-dichloro-2-pyridinyl)-1,3-thiazole-4-carboxylate
CID 169498589

Frequently Asked Questions

What is the IUPAC name of methyl 2-(6-chloropyridazin-3-yl)-1,3-thiazole-4-carboxylate?
The IUPAC name of methyl 2-(6-chloropyridazin-3-yl)-1,3-thiazole-4-carboxylate (CID 169498441) is methyl 2-(6-chloropyridazin-3-yl)-1,3-thiazole-4-carboxylate.
What is the SMILES notation for methyl 2-(6-chloropyridazin-3-yl)-1,3-thiazole-4-carboxylate?
The canonical SMILES for methyl 2-(6-chloropyridazin-3-yl)-1,3-thiazole-4-carboxylate is COC(=O)c1csc(-c2ccc(Cl)nn2)n1.
What is the InChIKey of methyl 2-(6-chloropyridazin-3-yl)-1,3-thiazole-4-carboxylate?
The InChIKey is XZYGDMJIKRDUTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6ClN3O2S/c1-15-9(14)6-4-16-8(11-6)5-2-3-7(10)13-12-5/h2-4H,1H3.
What are the key properties of methyl 2-(6-chloropyridazin-3-yl)-1,3-thiazole-4-carboxylate?
methyl 2-(6-chloropyridazin-3-yl)-1,3-thiazole-4-carboxylate has a molecular weight of 255.69 g/mol, XLogP of 2.04, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(6-chloropyridazin-3-yl)-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 169498441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).