methyl 5-(methoxymethyl)-1-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]triazole-4-carboxylate

C11H13N5O4S — CID 102643763

IUPACmethyl 5-(methoxymethyl)-1-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]triazole-4-carboxylate
SMILESCOCc1c(C(=O)OC)nnn1CC(=O)Nc1nccs1
InChIInChI=1S/C11H13N5O4S/c1-19-6-7-9(10(18)20-2)14-15-16(7)5-8(17)13-11-12-3-4-21-11/h3-4H,5-6H2,1-2H3,(H,12,13,17)
InChIKeyGKJOYPSYUXYVAV-UHFFFAOYSA-N
MW311.32 g/mol
LogP0.31
Rot. Bonds6

About methyl 5-(methoxymethyl)-1-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]triazole-4-carboxylate

methyl 5-(methoxymethyl)-1-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]triazole-4-carboxylate (PubChem CID 102643763) has the molecular formula C11H13N5O4S and a molecular weight of 311.32 g/mol. Its IUPAC name is methyl 5-(methoxymethyl)-1-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]triazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 5-(methoxymethyl)-1-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]triazole-4-carboxylate
PubChem CID102643763
Molecular FormulaC11H13N5O4S
Molecular Weight311.32 g/mol
Exact Mass311.07
IUPAC Namemethyl 5-(methoxymethyl)-1-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]triazole-4-carboxylate
SMILESCOCc1c(C(=O)OC)nnn1CC(=O)Nc1nccs1
InChIInChI=1S/C11H13N5O4S/c1-19-6-7-9(10(18)20-2)14-15-16(7)5-8(17)13-11-12-3-4-21-11/h3-4H,5-6H2,1-2H3,(H,12,13,17)
InChIKeyGKJOYPSYUXYVAV-UHFFFAOYSA-N
XLogP0.31
TPSA108.23 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.32
LogP ≤ 50.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

methyl 1-(2-amino-2-oxoethyl)-5-(methoxymethyl)triazole-4-carboxylate
CID 102643595
2-(benzotriazol-1-yl)-N-(1,3-thiazol-2-yl)acetamide
CID 854633
2-(2,5-dimethylpyrrol-1-yl)-N-(1,3-thiazol-2-yl)acetamide
CID 110688880
3-(2-methylhydrazinyl)-3-oxo-N-(1,3-thiazol-2-yl)propanamide
CID 129281286
2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]-N-(1,3-thiazol-2-yl)acetamide
CID 7660100
2-[4-[(tert-butylamino)methyl]triazol-1-yl]-N-(1,3-thiazol-2-yl)acetamide
CID 66193039
methyl 1-(2-amino-2-oxoethyl)-5-ethyltriazole-4-carboxylate
CID 103105730
methyl 5-(methoxymethyl)-1-[(1-propan-2-ylpyrazol-3-yl)methyl]triazole-4-carboxylate
CID 102643649
methyl 1-[(1-ethylpyrazol-4-yl)methyl]-5-(methoxymethyl)triazole-4-carboxylate
CID 102643750
methyl 1-[2-(azetidin-1-yl)-2-oxoethyl]-5-(2-methoxyethyl)triazole-4-carboxylate
CID 102646081
3-oxo-N-(1,3-thiazol-2-yl)pentanamide
CID 59660018
methyl 1-ethyl-5-(2-methoxyethyl)triazole-4-carboxylate
CID 102646162

Frequently Asked Questions

What is the IUPAC name of methyl 5-(methoxymethyl)-1-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]triazole-4-carboxylate?
The IUPAC name of methyl 5-(methoxymethyl)-1-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]triazole-4-carboxylate (CID 102643763) is methyl 5-(methoxymethyl)-1-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]triazole-4-carboxylate.
What is the SMILES notation for methyl 5-(methoxymethyl)-1-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]triazole-4-carboxylate?
The canonical SMILES for methyl 5-(methoxymethyl)-1-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]triazole-4-carboxylate is COCc1c(C(=O)OC)nnn1CC(=O)Nc1nccs1.
What is the InChIKey of methyl 5-(methoxymethyl)-1-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]triazole-4-carboxylate?
The InChIKey is GKJOYPSYUXYVAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5O4S/c1-19-6-7-9(10(18)20-2)14-15-16(7)5-8(17)13-11-12-3-4-21-11/h3-4H,5-6H2,1-2H3,(H,12,13,17).
What are the key properties of methyl 5-(methoxymethyl)-1-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]triazole-4-carboxylate?
methyl 5-(methoxymethyl)-1-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]triazole-4-carboxylate has a molecular weight of 311.32 g/mol, XLogP of 0.31, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-(methoxymethyl)-1-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]triazole-4-carboxylate is sourced from PubChem (CID 102643763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).