ethyl 2-[(5-ethyl-1,3-thiazol-2-yl)methylcarbamoylamino]acetate

C11H17N3O3S — CID 113245875

IUPACethyl 2-[(5-ethyl-1,3-thiazol-2-yl)methylcarbamoylamino]acetate
SMILESCCOC(=O)CNC(=O)NCc1ncc(CC)s1
InChIInChI=1S/C11H17N3O3S/c1-3-8-5-12-9(18-8)6-13-11(16)14-7-10(15)17-4-2/h5H,3-4,6-7H2,1-2H3,(H2,13,14,16)
InChIKeyIGIPRJJFEQICDK-UHFFFAOYSA-N
MW271.34 g/mol
LogP1.07
Rot. Bonds6

About ethyl 2-[(5-ethyl-1,3-thiazol-2-yl)methylcarbamoylamino]acetate

ethyl 2-[(5-ethyl-1,3-thiazol-2-yl)methylcarbamoylamino]acetate (PubChem CID 113245875) has the molecular formula C11H17N3O3S and a molecular weight of 271.34 g/mol. Its IUPAC name is ethyl 2-[(5-ethyl-1,3-thiazol-2-yl)methylcarbamoylamino]acetate.

Molecular Properties

Compound Nameethyl 2-[(5-ethyl-1,3-thiazol-2-yl)methylcarbamoylamino]acetate
PubChem CID113245875
Molecular FormulaC11H17N3O3S
Molecular Weight271.34 g/mol
Exact Mass271.10
IUPAC Nameethyl 2-[(5-ethyl-1,3-thiazol-2-yl)methylcarbamoylamino]acetate
SMILESCCOC(=O)CNC(=O)NCc1ncc(CC)s1
InChIInChI=1S/C11H17N3O3S/c1-3-8-5-12-9(18-8)6-13-11(16)14-7-10(15)17-4-2/h5H,3-4,6-7H2,1-2H3,(H2,13,14,16)
InChIKeyIGIPRJJFEQICDK-UHFFFAOYSA-N
XLogP1.07
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.34
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-amino-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]cyclopropane-1-carboxamide
CID 103814833
1-amino-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]cyclopentane-1-carboxamide
CID 113267621
2-amino-N-[2-[(5-ethyl-1,3-thiazol-2-yl)methylamino]-2-oxoethyl]acetamide
CID 104872602
3-amino-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-2,2-dimethylpropanamide
CID 103814857
N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-2-methoxy-2-methylpropanamide
CID 103709224
N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-2-methylpropan-2-amine
CID 62653886
ethyl 2-(1,2-oxazol-3-ylmethylcarbamoylamino)acetate
CID 79493406
ethyl 2-[(3-methylthiophen-2-yl)methylcarbamoylamino]acetate
CID 112730433
1-carbamothioyl-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]cyclopropane-1-carboxamide
CID 114127764
5-[(5-ethyl-1,3-thiazol-2-yl)methylcarbamoyl]pyrazine-2-carboxylic acid
CID 120685818
ethyl 2-[(5-methyl-1,3-thiazol-2-yl)carbamoylamino]acetate
CID 43384951
2-(4-aminophenyl)-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]acetamide
CID 103814839

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(5-ethyl-1,3-thiazol-2-yl)methylcarbamoylamino]acetate?
The IUPAC name of ethyl 2-[(5-ethyl-1,3-thiazol-2-yl)methylcarbamoylamino]acetate (CID 113245875) is ethyl 2-[(5-ethyl-1,3-thiazol-2-yl)methylcarbamoylamino]acetate.
What is the SMILES notation for ethyl 2-[(5-ethyl-1,3-thiazol-2-yl)methylcarbamoylamino]acetate?
The canonical SMILES for ethyl 2-[(5-ethyl-1,3-thiazol-2-yl)methylcarbamoylamino]acetate is CCOC(=O)CNC(=O)NCc1ncc(CC)s1.
What is the InChIKey of ethyl 2-[(5-ethyl-1,3-thiazol-2-yl)methylcarbamoylamino]acetate?
The InChIKey is IGIPRJJFEQICDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3S/c1-3-8-5-12-9(18-8)6-13-11(16)14-7-10(15)17-4-2/h5H,3-4,6-7H2,1-2H3,(H2,13,14,16).
What are the key properties of ethyl 2-[(5-ethyl-1,3-thiazol-2-yl)methylcarbamoylamino]acetate?
ethyl 2-[(5-ethyl-1,3-thiazol-2-yl)methylcarbamoylamino]acetate has a molecular weight of 271.34 g/mol, XLogP of 1.07, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(5-ethyl-1,3-thiazol-2-yl)methylcarbamoylamino]acetate is sourced from PubChem (CID 113245875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).