methyl 2-[3-(2-methoxyethoxy)propylamino]-1,3-thiazole-4-carboxylate

C11H18N2O4S — CID 114098751

IUPACmethyl 2-[3-(2-methoxyethoxy)propylamino]-1,3-thiazole-4-carboxylate
SMILESCOCCOCCCNc1nc(C(=O)OC)cs1
InChIInChI=1S/C11H18N2O4S/c1-15-6-7-17-5-3-4-12-11-13-9(8-18-11)10(14)16-2/h8H,3-7H2,1-2H3,(H,12,13)
InChIKeySSMJWPHAFVTKPM-UHFFFAOYSA-N
MW274.34 g/mol
LogP1.39
Rot. Bonds9

About methyl 2-[3-(2-methoxyethoxy)propylamino]-1,3-thiazole-4-carboxylate

methyl 2-[3-(2-methoxyethoxy)propylamino]-1,3-thiazole-4-carboxylate (PubChem CID 114098751) has the molecular formula C11H18N2O4S and a molecular weight of 274.34 g/mol. Its IUPAC name is methyl 2-[3-(2-methoxyethoxy)propylamino]-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-[3-(2-methoxyethoxy)propylamino]-1,3-thiazole-4-carboxylate
PubChem CID114098751
Molecular FormulaC11H18N2O4S
Molecular Weight274.34 g/mol
Exact Mass274.10
IUPAC Namemethyl 2-[3-(2-methoxyethoxy)propylamino]-1,3-thiazole-4-carboxylate
SMILESCOCCOCCCNc1nc(C(=O)OC)cs1
InChIInChI=1S/C11H18N2O4S/c1-15-6-7-17-5-3-4-12-11-13-9(8-18-11)10(14)16-2/h8H,3-7H2,1-2H3,(H,12,13)
InChIKeySSMJWPHAFVTKPM-UHFFFAOYSA-N
XLogP1.39
TPSA69.68 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.34
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-[2-[2-methoxyethyl(methyl)amino]ethylamino]-1,3-thiazole-4-carboxylate
CID 113307080
methyl 2-(4-propan-2-yloxybutylamino)-1,3-thiazole-4-carboxylate
CID 106006432
methyl 2-(4,5-dihydroxypentylamino)-1,3-thiazole-4-carboxylate
CID 155592482
methyl 2-[2-(methanesulfonamido)ethylamino]-1,3-thiazole-4-carboxylate
CID 115423580
methyl 2-[[3-(cyclopropylamino)-3-oxopropyl]amino]-1,3-thiazole-4-carboxylate
CID 115424823
methyl 2-(3-morpholin-4-ylpropylamino)-1,3-thiazole-4-carboxylate
CID 113306717
methyl 2-(2-methoxyethyl)-1,3-thiazole-4-carboxylate
CID 115422665
methyl 2-(2-pyrrolidin-1-ylethylamino)-1,3-thiazole-4-carboxylate
CID 115424261
methyl 2-(2,2-dimethylbutylamino)-1,3-thiazole-4-carboxylate
CID 103466455
methyl 2-[2-(5-chlorothiophen-2-yl)ethylamino]-1,3-thiazole-4-carboxylate
CID 114140236
methyl 2-(1,3-thiazol-2-ylmethylamino)-1,3-thiazole-4-carboxylate
CID 115423892
ethyl 2-(4-propan-2-yloxybutylamino)-1,3-thiazole-4-carboxylate
CID 114136482

Frequently Asked Questions

What is the IUPAC name of methyl 2-[3-(2-methoxyethoxy)propylamino]-1,3-thiazole-4-carboxylate?
The IUPAC name of methyl 2-[3-(2-methoxyethoxy)propylamino]-1,3-thiazole-4-carboxylate (CID 114098751) is methyl 2-[3-(2-methoxyethoxy)propylamino]-1,3-thiazole-4-carboxylate.
What is the SMILES notation for methyl 2-[3-(2-methoxyethoxy)propylamino]-1,3-thiazole-4-carboxylate?
The canonical SMILES for methyl 2-[3-(2-methoxyethoxy)propylamino]-1,3-thiazole-4-carboxylate is COCCOCCCNc1nc(C(=O)OC)cs1.
What is the InChIKey of methyl 2-[3-(2-methoxyethoxy)propylamino]-1,3-thiazole-4-carboxylate?
The InChIKey is SSMJWPHAFVTKPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O4S/c1-15-6-7-17-5-3-4-12-11-13-9(8-18-11)10(14)16-2/h8H,3-7H2,1-2H3,(H,12,13).
What are the key properties of methyl 2-[3-(2-methoxyethoxy)propylamino]-1,3-thiazole-4-carboxylate?
methyl 2-[3-(2-methoxyethoxy)propylamino]-1,3-thiazole-4-carboxylate has a molecular weight of 274.34 g/mol, XLogP of 1.39, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[3-(2-methoxyethoxy)propylamino]-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 114098751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).