methyl 6-[[4-(chloromethyl)-1,3-thiazol-2-yl]amino]pyridazine-3-carboxylate

C10H9ClN4O2S — CID 108778493

IUPACmethyl 6-[[4-(chloromethyl)-1,3-thiazol-2-yl]amino]pyridazine-3-carboxylate
SMILESCOC(=O)c1ccc(Nc2nc(CCl)cs2)nn1
InChIInChI=1S/C10H9ClN4O2S/c1-17-9(16)7-2-3-8(15-14-7)13-10-12-6(4-11)5-18-10/h2-3,5H,4H2,1H3,(H,12,13,15)
InChIKeyZLSBDGUSKLXKER-UHFFFAOYSA-N
MW284.73 g/mol
LogP2.20
Rot. Bonds4

About methyl 6-[[4-(chloromethyl)-1,3-thiazol-2-yl]amino]pyridazine-3-carboxylate

methyl 6-[[4-(chloromethyl)-1,3-thiazol-2-yl]amino]pyridazine-3-carboxylate (PubChem CID 108778493) has the molecular formula C10H9ClN4O2S and a molecular weight of 284.73 g/mol. Its IUPAC name is methyl 6-[[4-(chloromethyl)-1,3-thiazol-2-yl]amino]pyridazine-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-[[4-(chloromethyl)-1,3-thiazol-2-yl]amino]pyridazine-3-carboxylate
PubChem CID108778493
Molecular FormulaC10H9ClN4O2S
Molecular Weight284.73 g/mol
Exact Mass284.01
IUPAC Namemethyl 6-[[4-(chloromethyl)-1,3-thiazol-2-yl]amino]pyridazine-3-carboxylate
SMILESCOC(=O)c1ccc(Nc2nc(CCl)cs2)nn1
InChIInChI=1S/C10H9ClN4O2S/c1-17-9(16)7-2-3-8(15-14-7)13-10-12-6(4-11)5-18-10/h2-3,5H,4H2,1H3,(H,12,13,15)
InChIKeyZLSBDGUSKLXKER-UHFFFAOYSA-N
XLogP2.20
TPSA77.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.73
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

Methyl 6-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]pyridazine-3-carboxylate
CID 53528328
Ethyl 6-[(6-fluoro-1,3-benzothiazol-2-yl)amino]pyridazine-3-carboxylate
CID 108775971
Methyl 6-[(6-fluoro-1,3-benzothiazol-2-yl)amino]pyridazine-3-carboxylate
CID 108775972
6-[[4-(2,4-Dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]pyridazine-3-carboxylic acid
CID 144814933
Methyl 6-[(4-methyl-1,3-thiazol-2-yl)methylamino]pyridazine-3-carboxylate
CID 54893549
6-N-[4,5-Dimethyl-thiazol-2-yl]-aminopyridazine 3-Carboxylic Acid
CID 54950646
6-[(4-Ethyl-5-methyl-1,3-thiazol-2-yl)amino]pyridazine-3-carboxylic acid
CID 54953806
6-[(4-Cyclopropyl-1,3-thiazol-2-yl)amino]pyridazine-3-carboxylic acid
CID 54959034
6-[(4-Propan-2-yl-1,3-thiazol-2-yl)amino]pyridazine-3-carboxylic acid
CID 54959085
6-[(2-Methyl-1,3-thiazol-4-yl)methylamino]pyridazine-3-carboxylic acid
CID 54962913
6-[(4-Methyl-1,3-thiazol-2-yl)methylamino]pyridazine-3-carboxylic acid
CID 54963011
6-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylamino)pyridazine-3-carboxylic acid
CID 54963902

Frequently Asked Questions

What is the IUPAC name of methyl 6-[[4-(chloromethyl)-1,3-thiazol-2-yl]amino]pyridazine-3-carboxylate?
The IUPAC name of methyl 6-[[4-(chloromethyl)-1,3-thiazol-2-yl]amino]pyridazine-3-carboxylate (CID 108778493) is methyl 6-[[4-(chloromethyl)-1,3-thiazol-2-yl]amino]pyridazine-3-carboxylate.
What is the SMILES notation for methyl 6-[[4-(chloromethyl)-1,3-thiazol-2-yl]amino]pyridazine-3-carboxylate?
The canonical SMILES for methyl 6-[[4-(chloromethyl)-1,3-thiazol-2-yl]amino]pyridazine-3-carboxylate is COC(=O)c1ccc(Nc2nc(CCl)cs2)nn1.
What is the InChIKey of methyl 6-[[4-(chloromethyl)-1,3-thiazol-2-yl]amino]pyridazine-3-carboxylate?
The InChIKey is ZLSBDGUSKLXKER-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN4O2S/c1-17-9(16)7-2-3-8(15-14-7)13-10-12-6(4-11)5-18-10/h2-3,5H,4H2,1H3,(H,12,13,15).
What are the key properties of methyl 6-[[4-(chloromethyl)-1,3-thiazol-2-yl]amino]pyridazine-3-carboxylate?
methyl 6-[[4-(chloromethyl)-1,3-thiazol-2-yl]amino]pyridazine-3-carboxylate has a molecular weight of 284.73 g/mol, XLogP of 2.20, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[[4-(chloromethyl)-1,3-thiazol-2-yl]amino]pyridazine-3-carboxylate is sourced from PubChem (CID 108778493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).