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

C9H11N3O2S — CID 115331415

IUPACmethyl 2-(imidazo[2,1-b][1,3]thiazol-6-ylmethylamino)acetate
SMILESCOC(=O)CNCc1cn2ccsc2n1
InChIInChI=1S/C9H11N3O2S/c1-14-8(13)5-10-4-7-6-12-2-3-15-9(12)11-7/h2-3,6,10H,4-5H2,1H3
InChIKeyKNERUKAYGMEDFL-UHFFFAOYSA-N
MW225.27 g/mol
LogP0.66
Rot. Bonds4

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

methyl 2-(imidazo[2,1-b][1,3]thiazol-6-ylmethylamino)acetate (PubChem CID 115331415) has the molecular formula C9H11N3O2S and a molecular weight of 225.27 g/mol. Its IUPAC name is methyl 2-(imidazo[2,1-b][1,3]thiazol-6-ylmethylamino)acetate.

Molecular Properties

Compound Namemethyl 2-(imidazo[2,1-b][1,3]thiazol-6-ylmethylamino)acetate
PubChem CID115331415
Molecular FormulaC9H11N3O2S
Molecular Weight225.27 g/mol
Exact Mass225.06
IUPAC Namemethyl 2-(imidazo[2,1-b][1,3]thiazol-6-ylmethylamino)acetate
SMILESCOC(=O)CNCc1cn2ccsc2n1
InChIInChI=1S/C9H11N3O2S/c1-14-8(13)5-10-4-7-6-12-2-3-15-9(12)11-7/h2-3,6,10H,4-5H2,1H3
InChIKeyKNERUKAYGMEDFL-UHFFFAOYSA-N
XLogP0.66
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.27
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(imidazo[2,1-b][1,3]thiazol-6-ylmethylamino)-N-(2-methoxyethyl)acetamide
CID 112683612
2-(imidazo[2,1-b][1,3]thiazol-6-ylmethylamino)-N-propan-2-ylacetamide
CID 115278968
methyl 2-chloro-3-(imidazo[2,1-b][1,3]thiazol-6-ylmethylamino)propanoate
CID 103491939
methyl 2-[(2-imidazo[2,1-b][1,3]thiazol-6-ylacetyl)-methylamino]acetate
CID 43408802
methyl 3-[(2-imidazo[2,1-b][1,3]thiazol-6-ylacetyl)amino]propanoate
CID 60690600
N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-(2-methoxyethoxy)ethanamine
CID 115331583
N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-methylpropan-1-amine
CID 115331414
methyl 2-[imidazo[2,1-b][1,3]thiazol-6-ylmethyl(propan-2-yl)amino]acetate
CID 78918735
methyl 2-hydroxy-3-imidazo[2,1-b][1,3]thiazol-6-ylpropanoate
CID 115332918
4-(imidazo[2,1-b][1,3]thiazol-6-ylmethylamino)butan-2-ol
CID 115331674
N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-4-methoxybenzamide
CID 3658662
2-(imidazo[2,1-b][1,3]thiazol-6-ylmethylamino)-3-methoxypropan-1-ol
CID 106190367

Frequently Asked Questions

What is the IUPAC name of methyl 2-(imidazo[2,1-b][1,3]thiazol-6-ylmethylamino)acetate?
The IUPAC name of methyl 2-(imidazo[2,1-b][1,3]thiazol-6-ylmethylamino)acetate (CID 115331415) is methyl 2-(imidazo[2,1-b][1,3]thiazol-6-ylmethylamino)acetate.
What is the SMILES notation for methyl 2-(imidazo[2,1-b][1,3]thiazol-6-ylmethylamino)acetate?
The canonical SMILES for methyl 2-(imidazo[2,1-b][1,3]thiazol-6-ylmethylamino)acetate is COC(=O)CNCc1cn2ccsc2n1.
What is the InChIKey of methyl 2-(imidazo[2,1-b][1,3]thiazol-6-ylmethylamino)acetate?
The InChIKey is KNERUKAYGMEDFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O2S/c1-14-8(13)5-10-4-7-6-12-2-3-15-9(12)11-7/h2-3,6,10H,4-5H2,1H3.
What are the key properties of methyl 2-(imidazo[2,1-b][1,3]thiazol-6-ylmethylamino)acetate?
methyl 2-(imidazo[2,1-b][1,3]thiazol-6-ylmethylamino)acetate has a molecular weight of 225.27 g/mol, XLogP of 0.66, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(imidazo[2,1-b][1,3]thiazol-6-ylmethylamino)acetate is sourced from PubChem (CID 115331415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).