methyl 3-[2-methoxyethyl(thiadiazole-4-carbonyl)amino]propanoate

C10H15N3O4S — CID 78959965

IUPACmethyl 3-[2-methoxyethyl(thiadiazole-4-carbonyl)amino]propanoate
SMILESCOCCN(CCC(=O)OC)C(=O)c1csnn1
InChIInChI=1S/C10H15N3O4S/c1-16-6-5-13(4-3-9(14)17-2)10(15)8-7-18-12-11-8/h7H,3-6H2,1-2H3
InChIKeyMEWKDVJYGOXQGH-UHFFFAOYSA-N
MW273.31 g/mol
LogP0.19
Rot. Bonds7

About methyl 3-[2-methoxyethyl(thiadiazole-4-carbonyl)amino]propanoate

methyl 3-[2-methoxyethyl(thiadiazole-4-carbonyl)amino]propanoate (PubChem CID 78959965) has the molecular formula C10H15N3O4S and a molecular weight of 273.31 g/mol. Its IUPAC name is methyl 3-[2-methoxyethyl(thiadiazole-4-carbonyl)amino]propanoate.

Molecular Properties

Compound Namemethyl 3-[2-methoxyethyl(thiadiazole-4-carbonyl)amino]propanoate
PubChem CID78959965
Molecular FormulaC10H15N3O4S
Molecular Weight273.31 g/mol
Exact Mass273.08
IUPAC Namemethyl 3-[2-methoxyethyl(thiadiazole-4-carbonyl)amino]propanoate
SMILESCOCCN(CCC(=O)OC)C(=O)c1csnn1
InChIInChI=1S/C10H15N3O4S/c1-16-6-5-13(4-3-9(14)17-2)10(15)8-7-18-12-11-8/h7H,3-6H2,1-2H3
InChIKeyMEWKDVJYGOXQGH-UHFFFAOYSA-N
XLogP0.19
TPSA81.62 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.31
LogP ≤ 50.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

methyl 3-[2-methoxyethyl(1,3-thiazole-4-carbonyl)amino]propanoate
CID 78959009
methyl 3-[2-methoxyethyl-(4-methylthiadiazole-5-carbonyl)amino]propanoate
CID 113330616
methyl 3-[(6-chloropyridine-2-carbonyl)-(2-methoxyethyl)amino]propanoate
CID 78958864
N,N-bis(2-hydroxyethyl)thiadiazole-4-carboxamide
CID 65216327
methyl 3-[(2,6-dihydroxybenzoyl)-(2-methoxyethyl)amino]propanoate
CID 107689507
N,N-diethylthiadiazole-4-carboxamide
CID 60757863
methyl 3-[(3,5-dimethylbenzoyl)-(2-methoxyethyl)amino]propanoate
CID 78959076
methyl 3-[(3,4-dihydroxybenzoyl)-(2-methoxyethyl)amino]propanoate
CID 103957103
methyl 3-[(2,6-dichloropyridine-4-carbonyl)-(2-methoxyethyl)amino]propanoate
CID 78959056
methyl 3-[(6-fluoropyridine-3-carbonyl)-(2-methoxyethyl)amino]propanoate
CID 78962224
N-(3-amino-3-sulfanylidenepropyl)-N-ethylthiadiazole-4-carboxamide
CID 65216427
methyl 3-[(4-aminobenzoyl)-(2-methoxyethyl)amino]propanoate
CID 115532929

Frequently Asked Questions

What is the IUPAC name of methyl 3-[2-methoxyethyl(thiadiazole-4-carbonyl)amino]propanoate?
The IUPAC name of methyl 3-[2-methoxyethyl(thiadiazole-4-carbonyl)amino]propanoate (CID 78959965) is methyl 3-[2-methoxyethyl(thiadiazole-4-carbonyl)amino]propanoate.
What is the SMILES notation for methyl 3-[2-methoxyethyl(thiadiazole-4-carbonyl)amino]propanoate?
The canonical SMILES for methyl 3-[2-methoxyethyl(thiadiazole-4-carbonyl)amino]propanoate is COCCN(CCC(=O)OC)C(=O)c1csnn1.
What is the InChIKey of methyl 3-[2-methoxyethyl(thiadiazole-4-carbonyl)amino]propanoate?
The InChIKey is MEWKDVJYGOXQGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O4S/c1-16-6-5-13(4-3-9(14)17-2)10(15)8-7-18-12-11-8/h7H,3-6H2,1-2H3.
What are the key properties of methyl 3-[2-methoxyethyl(thiadiazole-4-carbonyl)amino]propanoate?
methyl 3-[2-methoxyethyl(thiadiazole-4-carbonyl)amino]propanoate has a molecular weight of 273.31 g/mol, XLogP of 0.19, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[2-methoxyethyl(thiadiazole-4-carbonyl)amino]propanoate is sourced from PubChem (CID 78959965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).