methyl 2-[(2-imidazo[2,1-b][1,3]thiazol-6-ylacetyl)-methylamino]acetate

C11H13N3O3S — CID 43408802

IUPACmethyl 2-[(2-imidazo[2,1-b][1,3]thiazol-6-ylacetyl)-methylamino]acetate
SMILESCOC(=O)CN(C)C(=O)Cc1cn2ccsc2n1
InChIInChI=1S/C11H13N3O3S/c1-13(7-10(16)17-2)9(15)5-8-6-14-3-4-18-11(14)12-8/h3-4,6H,5,7H2,1-2H3
InChIKeyQIDQHRGDPIPVKP-UHFFFAOYSA-N
MW267.31 g/mol
LogP0.57
Rot. Bonds4

About methyl 2-[(2-imidazo[2,1-b][1,3]thiazol-6-ylacetyl)-methylamino]acetate

methyl 2-[(2-imidazo[2,1-b][1,3]thiazol-6-ylacetyl)-methylamino]acetate (PubChem CID 43408802) has the molecular formula C11H13N3O3S and a molecular weight of 267.31 g/mol. Its IUPAC name is methyl 2-[(2-imidazo[2,1-b][1,3]thiazol-6-ylacetyl)-methylamino]acetate.

Molecular Properties

Compound Namemethyl 2-[(2-imidazo[2,1-b][1,3]thiazol-6-ylacetyl)-methylamino]acetate
PubChem CID43408802
Molecular FormulaC11H13N3O3S
Molecular Weight267.31 g/mol
Exact Mass267.07
IUPAC Namemethyl 2-[(2-imidazo[2,1-b][1,3]thiazol-6-ylacetyl)-methylamino]acetate
SMILESCOC(=O)CN(C)C(=O)Cc1cn2ccsc2n1
InChIInChI=1S/C11H13N3O3S/c1-13(7-10(16)17-2)9(15)5-8-6-14-3-4-18-11(14)12-8/h3-4,6H,5,7H2,1-2H3
InChIKeyQIDQHRGDPIPVKP-UHFFFAOYSA-N
XLogP0.57
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.31
LogP ≤ 50.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 2-[imidazo[2,1-b][1,3]thiazol-6-ylmethyl(propan-2-yl)amino]acetate
CID 78918735
methyl 3-[(2-imidazo[2,1-b][1,3]thiazol-6-ylacetyl)amino]propanoate
CID 60690600
ethyl 2-[ethyl-(2-imidazo[2,1-b][1,3]thiazol-6-ylacetyl)amino]acetate
CID 61012930
N-[(2-hydroxycyclohexyl)methyl]-2-imidazo[2,1-b][1,3]thiazol-6-yl-N-methylacetamide
CID 110003774
methyl 2-(imidazo[2,1-b][1,3]thiazol-6-ylmethylamino)acetate
CID 115331415
2-imidazo[2,1-b][1,3]thiazol-6-yl-N-[(1R)-1-(2-methoxyphenyl)ethyl]-N-methylacetamide
CID 97021277
2-imidazo[2,1-b][1,3]thiazol-6-yl-N-methyl-N-[2-(2-methylphenoxy)ethyl]acetamide
CID 31670556
2-imidazo[2,1-b][1,3]thiazol-6-yl-N-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]acetamide
CID 134047252
1-imidazo[2,1-b][1,3]thiazol-6-yl-4-methoxybutan-2-one
CID 115333077
N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-2-imidazo[2,1-b][1,3]thiazol-6-yl-N-methylacetamide
CID 70765723
2-imidazo[2,1-b][1,3]thiazol-6-yl-N-methyl-N-[(3-pyrazol-1-ylphenyl)methyl]acetamide
CID 70769748
2-imidazo[2,1-b][1,3]thiazol-6-yl-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]acetamide
CID 31645281

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2-imidazo[2,1-b][1,3]thiazol-6-ylacetyl)-methylamino]acetate?
The IUPAC name of methyl 2-[(2-imidazo[2,1-b][1,3]thiazol-6-ylacetyl)-methylamino]acetate (CID 43408802) is methyl 2-[(2-imidazo[2,1-b][1,3]thiazol-6-ylacetyl)-methylamino]acetate.
What is the SMILES notation for methyl 2-[(2-imidazo[2,1-b][1,3]thiazol-6-ylacetyl)-methylamino]acetate?
The canonical SMILES for methyl 2-[(2-imidazo[2,1-b][1,3]thiazol-6-ylacetyl)-methylamino]acetate is COC(=O)CN(C)C(=O)Cc1cn2ccsc2n1.
What is the InChIKey of methyl 2-[(2-imidazo[2,1-b][1,3]thiazol-6-ylacetyl)-methylamino]acetate?
The InChIKey is QIDQHRGDPIPVKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O3S/c1-13(7-10(16)17-2)9(15)5-8-6-14-3-4-18-11(14)12-8/h3-4,6H,5,7H2,1-2H3.
What are the key properties of methyl 2-[(2-imidazo[2,1-b][1,3]thiazol-6-ylacetyl)-methylamino]acetate?
methyl 2-[(2-imidazo[2,1-b][1,3]thiazol-6-ylacetyl)-methylamino]acetate has a molecular weight of 267.31 g/mol, XLogP of 0.57, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2-imidazo[2,1-b][1,3]thiazol-6-ylacetyl)-methylamino]acetate is sourced from PubChem (CID 43408802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).