methyl 2-(pyridazin-3-ylmethylamino)-1,3-thiazole-4-carboxylate

C10H10N4O2S — CID 106898099

IUPACmethyl 2-(pyridazin-3-ylmethylamino)-1,3-thiazole-4-carboxylate
SMILESCOC(=O)c1csc(NCc2cccnn2)n1
InChIInChI=1S/C10H10N4O2S/c1-16-9(15)8-6-17-10(13-8)11-5-7-3-2-4-12-14-7/h2-4,6H,5H2,1H3,(H,11,13)
InChIKeyWPJQNISNTAKGAY-UHFFFAOYSA-N
MW250.28 g/mol
LogP1.33
Rot. Bonds4

About methyl 2-(pyridazin-3-ylmethylamino)-1,3-thiazole-4-carboxylate

methyl 2-(pyridazin-3-ylmethylamino)-1,3-thiazole-4-carboxylate (PubChem CID 106898099) has the molecular formula C10H10N4O2S and a molecular weight of 250.28 g/mol. Its IUPAC name is methyl 2-(pyridazin-3-ylmethylamino)-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-(pyridazin-3-ylmethylamino)-1,3-thiazole-4-carboxylate
PubChem CID106898099
Molecular FormulaC10H10N4O2S
Molecular Weight250.28 g/mol
Exact Mass250.05
IUPAC Namemethyl 2-(pyridazin-3-ylmethylamino)-1,3-thiazole-4-carboxylate
SMILESCOC(=O)c1csc(NCc2cccnn2)n1
InChIInChI=1S/C10H10N4O2S/c1-16-9(15)8-6-17-10(13-8)11-5-7-3-2-4-12-14-7/h2-4,6H,5H2,1H3,(H,11,13)
InChIKeyWPJQNISNTAKGAY-UHFFFAOYSA-N
XLogP1.33
TPSA77.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.28
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-ethyl-N-(pyridazin-3-ylmethyl)-1,3-thiazol-2-amine
CID 106832833
methyl 2-(1,3-thiazol-2-ylmethylamino)-1,3-thiazole-4-carboxylate
CID 115423892
ethyl 2-(pyridin-2-ylmethylamino)-1,3-thiazole-4-carboxylate
CID 80567880
methyl 2-[(2,4-difluorophenyl)methylamino]-1,3-thiazole-4-carboxylate
CID 115424235
methyl 2-(2,2-dimethylbutylamino)-1,3-thiazole-4-carboxylate
CID 103466455
ethyl 2-[(3-ethyl-2-pyridinyl)methylamino]-1,3-thiazole-4-carboxylate
CID 82746082
tert-butyl N-[2-[4-(pyridazin-3-ylmethylcarbamoyl)-1,3-thiazol-2-yl]ethyl]carbamate
CID 129052398
methyl 2-[2-(methanesulfonamido)ethylamino]-1,3-thiazole-4-carboxylate
CID 115423580
methyl 2-[3-(2-methoxyethoxy)propylamino]-1,3-thiazole-4-carboxylate
CID 114098751
ethyl 2-[(5-ethylthiophen-2-yl)methylamino]-1,3-thiazole-4-carboxylate
CID 106006503
methyl 2-(2,6-difluoroanilino)-1,3-thiazole-4-carboxylate
CID 113306686
methyl 2-(2-methylanilino)-1,3-thiazole-4-carboxylate
CID 115423299

Frequently Asked Questions

What is the IUPAC name of methyl 2-(pyridazin-3-ylmethylamino)-1,3-thiazole-4-carboxylate?
The IUPAC name of methyl 2-(pyridazin-3-ylmethylamino)-1,3-thiazole-4-carboxylate (CID 106898099) is methyl 2-(pyridazin-3-ylmethylamino)-1,3-thiazole-4-carboxylate.
What is the SMILES notation for methyl 2-(pyridazin-3-ylmethylamino)-1,3-thiazole-4-carboxylate?
The canonical SMILES for methyl 2-(pyridazin-3-ylmethylamino)-1,3-thiazole-4-carboxylate is COC(=O)c1csc(NCc2cccnn2)n1.
What is the InChIKey of methyl 2-(pyridazin-3-ylmethylamino)-1,3-thiazole-4-carboxylate?
The InChIKey is WPJQNISNTAKGAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4O2S/c1-16-9(15)8-6-17-10(13-8)11-5-7-3-2-4-12-14-7/h2-4,6H,5H2,1H3,(H,11,13).
What are the key properties of methyl 2-(pyridazin-3-ylmethylamino)-1,3-thiazole-4-carboxylate?
methyl 2-(pyridazin-3-ylmethylamino)-1,3-thiazole-4-carboxylate has a molecular weight of 250.28 g/mol, XLogP of 1.33, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(pyridazin-3-ylmethylamino)-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 106898099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).