methyl 2-[imidazo[2,1-b][1,3]thiazol-6-ylmethyl(propan-2-yl)amino]acetate

C12H17N3O2S — CID 78918735

IUPACmethyl 2-[imidazo[2,1-b][1,3]thiazol-6-ylmethyl(propan-2-yl)amino]acetate
SMILESCOC(=O)CN(Cc1cn2ccsc2n1)C(C)C
InChIInChI=1S/C12H17N3O2S/c1-9(2)15(8-11(16)17-3)7-10-6-14-4-5-18-12(14)13-10/h4-6,9H,7-8H2,1-3H3
InChIKeyQOWRPOVQTOCFTJ-UHFFFAOYSA-N
MW267.35 g/mol
LogP1.78
Rot. Bonds5

About methyl 2-[imidazo[2,1-b][1,3]thiazol-6-ylmethyl(propan-2-yl)amino]acetate

methyl 2-[imidazo[2,1-b][1,3]thiazol-6-ylmethyl(propan-2-yl)amino]acetate (PubChem CID 78918735) has the molecular formula C12H17N3O2S and a molecular weight of 267.35 g/mol. Its IUPAC name is methyl 2-[imidazo[2,1-b][1,3]thiazol-6-ylmethyl(propan-2-yl)amino]acetate.

Molecular Properties

Compound Namemethyl 2-[imidazo[2,1-b][1,3]thiazol-6-ylmethyl(propan-2-yl)amino]acetate
PubChem CID78918735
Molecular FormulaC12H17N3O2S
Molecular Weight267.35 g/mol
Exact Mass267.10
IUPAC Namemethyl 2-[imidazo[2,1-b][1,3]thiazol-6-ylmethyl(propan-2-yl)amino]acetate
SMILESCOC(=O)CN(Cc1cn2ccsc2n1)C(C)C
InChIInChI=1S/C12H17N3O2S/c1-9(2)15(8-11(16)17-3)7-10-6-14-4-5-18-12(14)13-10/h4-6,9H,7-8H2,1-3H3
InChIKeyQOWRPOVQTOCFTJ-UHFFFAOYSA-N
XLogP1.78
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.35
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 2-[(2-imidazo[2,1-b][1,3]thiazol-6-ylacetyl)-methylamino]acetate
CID 43408802
3-[imidazo[2,1-b][1,3]thiazol-6-ylmethyl(propan-2-yl)amino]propan-1-ol
CID 113289297
N-(2-bromoethyl)-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)propan-2-amine
CID 115334525
methyl 2-(imidazo[2,1-b][1,3]thiazol-6-ylmethylamino)acetate
CID 115331415
2-[imidazo[2,1-b][1,3]thiazol-6-ylmethyl(methyl)amino]propanoic acid
CID 115332453
methyl 2-hydroxy-3-imidazo[2,1-b][1,3]thiazol-6-ylpropanoate
CID 115332918
2-(imidazo[2,1-b][1,3]thiazol-6-ylmethylamino)-N-propan-2-ylacetamide
CID 115278968
methyl 3-[(2-imidazo[2,1-b][1,3]thiazol-6-ylacetyl)amino]propanoate
CID 60690600
3-[imidazo[2,1-b][1,3]thiazol-6-ylmethyl(methyl)amino]-2-methylpropanoic acid
CID 115332443
N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3-methoxybutan-2-amine
CID 115713221
methyl 2-[(6-chloro-2-pyridinyl)methyl-propan-2-ylamino]acetate
CID 79047597
1-imidazo[2,1-b][1,3]thiazol-6-yl-3-propan-2-yloxypropan-2-one
CID 105123189

Frequently Asked Questions

What is the IUPAC name of methyl 2-[imidazo[2,1-b][1,3]thiazol-6-ylmethyl(propan-2-yl)amino]acetate?
The IUPAC name of methyl 2-[imidazo[2,1-b][1,3]thiazol-6-ylmethyl(propan-2-yl)amino]acetate (CID 78918735) is methyl 2-[imidazo[2,1-b][1,3]thiazol-6-ylmethyl(propan-2-yl)amino]acetate.
What is the SMILES notation for methyl 2-[imidazo[2,1-b][1,3]thiazol-6-ylmethyl(propan-2-yl)amino]acetate?
The canonical SMILES for methyl 2-[imidazo[2,1-b][1,3]thiazol-6-ylmethyl(propan-2-yl)amino]acetate is COC(=O)CN(Cc1cn2ccsc2n1)C(C)C.
What is the InChIKey of methyl 2-[imidazo[2,1-b][1,3]thiazol-6-ylmethyl(propan-2-yl)amino]acetate?
The InChIKey is QOWRPOVQTOCFTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2S/c1-9(2)15(8-11(16)17-3)7-10-6-14-4-5-18-12(14)13-10/h4-6,9H,7-8H2,1-3H3.
What are the key properties of methyl 2-[imidazo[2,1-b][1,3]thiazol-6-ylmethyl(propan-2-yl)amino]acetate?
methyl 2-[imidazo[2,1-b][1,3]thiazol-6-ylmethyl(propan-2-yl)amino]acetate has a molecular weight of 267.35 g/mol, XLogP of 1.78, 5 rotatable bonds, 0 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-ylmethyl(propan-2-yl)amino]acetate is sourced from PubChem (CID 78918735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).