methyl 2-[[2-(2-methoxyethylamino)-2-oxoethyl]amino]-1,3-thiazole-5-carboxylate

C10H15N3O4S — CID 113405769

IUPACmethyl 2-[[2-(2-methoxyethylamino)-2-oxoethyl]amino]-1,3-thiazole-5-carboxylate
SMILESCOCCNC(=O)CNc1ncc(C(=O)OC)s1
InChIInChI=1S/C10H15N3O4S/c1-16-4-3-11-8(14)6-13-10-12-5-7(18-10)9(15)17-2/h5H,3-4,6H2,1-2H3,(H,11,14)(H,12,13)
InChIKeyTXBDBFLQJUWGBI-UHFFFAOYSA-N
MW273.31 g/mol
LogP0.10
Rot. Bonds7

About methyl 2-[[2-(2-methoxyethylamino)-2-oxoethyl]amino]-1,3-thiazole-5-carboxylate

methyl 2-[[2-(2-methoxyethylamino)-2-oxoethyl]amino]-1,3-thiazole-5-carboxylate (PubChem CID 113405769) has the molecular formula C10H15N3O4S and a molecular weight of 273.31 g/mol. Its IUPAC name is methyl 2-[[2-(2-methoxyethylamino)-2-oxoethyl]amino]-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 2-[[2-(2-methoxyethylamino)-2-oxoethyl]amino]-1,3-thiazole-5-carboxylate
PubChem CID113405769
Molecular FormulaC10H15N3O4S
Molecular Weight273.31 g/mol
Exact Mass273.08
IUPAC Namemethyl 2-[[2-(2-methoxyethylamino)-2-oxoethyl]amino]-1,3-thiazole-5-carboxylate
SMILESCOCCNC(=O)CNc1ncc(C(=O)OC)s1
InChIInChI=1S/C10H15N3O4S/c1-16-4-3-11-8(14)6-13-10-12-5-7(18-10)9(15)17-2/h5H,3-4,6H2,1-2H3,(H,11,14)(H,12,13)
InChIKeyTXBDBFLQJUWGBI-UHFFFAOYSA-N
XLogP0.10
TPSA89.55 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.31
LogP ≤ 50.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze methyl 2-[[2-(2-methoxyethylamino)-2-oxoethyl]amino]-1,3-thiazole-5-carboxylate with MolForge

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Related Compounds

methyl 2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]-1,3-thiazole-5-carboxylate
CID 80571719
methyl 2-(octylamino)-1,3-thiazole-5-carboxylate
CID 113336783
N-(2-methoxyethyl)-2-(pyrazin-2-ylamino)acetamide
CID 115574127
methyl 2-[2-(2-amino-2-oxoethoxy)ethylamino]-1,3-thiazole-5-carboxylate
CID 106241505
N-(2-methoxyethyl)-3-[(5-nitro-1,3-thiazol-2-yl)amino]propanamide
CID 102771025
methyl 2-[2-(1,3-thiazol-2-yl)ethylamino]-1,3-thiazole-5-carboxylate
CID 80571434
methyl 2-[4-(dimethylamino)butylamino]-1,3-thiazole-5-carboxylate
CID 80571028
N-(2-methoxyethyl)-2-(thieno[2,3-d]pyrimidin-4-ylamino)acetamide
CID 9453782
2-amino-N-(2-methoxyethyl)-1,3-thiazole-5-carboxamide
CID 82171902
methyl 2-(1-methoxypentan-2-ylamino)-1,3-thiazole-5-carboxylate
CID 80572796
2-[(3-chloro-2-pyridinyl)amino]-N-(2-methoxyethyl)acetamide
CID 115575489
methyl 2-(pyridin-3-ylmethylamino)-1,3-thiazole-5-carboxylate
CID 80572026

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[2-(2-methoxyethylamino)-2-oxoethyl]amino]-1,3-thiazole-5-carboxylate?
The IUPAC name of methyl 2-[[2-(2-methoxyethylamino)-2-oxoethyl]amino]-1,3-thiazole-5-carboxylate (CID 113405769) is methyl 2-[[2-(2-methoxyethylamino)-2-oxoethyl]amino]-1,3-thiazole-5-carboxylate.
What is the SMILES notation for methyl 2-[[2-(2-methoxyethylamino)-2-oxoethyl]amino]-1,3-thiazole-5-carboxylate?
The canonical SMILES for methyl 2-[[2-(2-methoxyethylamino)-2-oxoethyl]amino]-1,3-thiazole-5-carboxylate is COCCNC(=O)CNc1ncc(C(=O)OC)s1.
What is the InChIKey of methyl 2-[[2-(2-methoxyethylamino)-2-oxoethyl]amino]-1,3-thiazole-5-carboxylate?
The InChIKey is TXBDBFLQJUWGBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O4S/c1-16-4-3-11-8(14)6-13-10-12-5-7(18-10)9(15)17-2/h5H,3-4,6H2,1-2H3,(H,11,14)(H,12,13).
What are the key properties of methyl 2-[[2-(2-methoxyethylamino)-2-oxoethyl]amino]-1,3-thiazole-5-carboxylate?
methyl 2-[[2-(2-methoxyethylamino)-2-oxoethyl]amino]-1,3-thiazole-5-carboxylate has a molecular weight of 273.31 g/mol, XLogP of 0.10, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[2-(2-methoxyethylamino)-2-oxoethyl]amino]-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 113405769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).