ethyl 2-[5-[(tert-butylamino)methyl]imidazo[2,1-b][1,3]thiazol-6-yl]sulfanylacetate

C14H21N3O2S2 — CID 63809270

IUPACethyl 2-[5-[(tert-butylamino)methyl]imidazo[2,1-b][1,3]thiazol-6-yl]sulfanylacetate
SMILESCCOC(=O)CSc1nc2sccn2c1CNC(C)(C)C
InChIInChI=1S/C14H21N3O2S2/c1-5-19-11(18)9-21-12-10(8-15-14(2,3)4)17-6-7-20-13(17)16-12/h6-7,15H,5,8-9H2,1-4H3
InChIKeyXHYPJSZUGHXBKU-UHFFFAOYSA-N
MW327.48 g/mol
LogP2.94
Rot. Bonds6

About ethyl 2-[5-[(tert-butylamino)methyl]imidazo[2,1-b][1,3]thiazol-6-yl]sulfanylacetate

ethyl 2-[5-[(tert-butylamino)methyl]imidazo[2,1-b][1,3]thiazol-6-yl]sulfanylacetate (PubChem CID 63809270) has the molecular formula C14H21N3O2S2 and a molecular weight of 327.48 g/mol. Its IUPAC name is ethyl 2-[5-[(tert-butylamino)methyl]imidazo[2,1-b][1,3]thiazol-6-yl]sulfanylacetate.

Molecular Properties

Compound Nameethyl 2-[5-[(tert-butylamino)methyl]imidazo[2,1-b][1,3]thiazol-6-yl]sulfanylacetate
PubChem CID63809270
Molecular FormulaC14H21N3O2S2
Molecular Weight327.48 g/mol
Exact Mass327.11
IUPAC Nameethyl 2-[5-[(tert-butylamino)methyl]imidazo[2,1-b][1,3]thiazol-6-yl]sulfanylacetate
SMILESCCOC(=O)CSc1nc2sccn2c1CNC(C)(C)C
InChIInChI=1S/C14H21N3O2S2/c1-5-19-11(18)9-21-12-10(8-15-14(2,3)4)17-6-7-20-13(17)16-12/h6-7,15H,5,8-9H2,1-4H3
InChIKeyXHYPJSZUGHXBKU-UHFFFAOYSA-N
XLogP2.94
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.48
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze ethyl 2-[5-[(tert-butylamino)methyl]imidazo[2,1-b][1,3]thiazol-6-yl]sulfanylacetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[5-[(tert-butylamino)methyl]imidazo[2,1-b][1,3]thiazol-6-yl]sulfanylacetate?
The IUPAC name of ethyl 2-[5-[(tert-butylamino)methyl]imidazo[2,1-b][1,3]thiazol-6-yl]sulfanylacetate (CID 63809270) is ethyl 2-[5-[(tert-butylamino)methyl]imidazo[2,1-b][1,3]thiazol-6-yl]sulfanylacetate.
What is the SMILES notation for ethyl 2-[5-[(tert-butylamino)methyl]imidazo[2,1-b][1,3]thiazol-6-yl]sulfanylacetate?
The canonical SMILES for ethyl 2-[5-[(tert-butylamino)methyl]imidazo[2,1-b][1,3]thiazol-6-yl]sulfanylacetate is CCOC(=O)CSc1nc2sccn2c1CNC(C)(C)C.
What is the InChIKey of ethyl 2-[5-[(tert-butylamino)methyl]imidazo[2,1-b][1,3]thiazol-6-yl]sulfanylacetate?
The InChIKey is XHYPJSZUGHXBKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2S2/c1-5-19-11(18)9-21-12-10(8-15-14(2,3)4)17-6-7-20-13(17)16-12/h6-7,15H,5,8-9H2,1-4H3.
What are the key properties of ethyl 2-[5-[(tert-butylamino)methyl]imidazo[2,1-b][1,3]thiazol-6-yl]sulfanylacetate?
ethyl 2-[5-[(tert-butylamino)methyl]imidazo[2,1-b][1,3]thiazol-6-yl]sulfanylacetate has a molecular weight of 327.48 g/mol, XLogP of 2.94, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[5-[(tert-butylamino)methyl]imidazo[2,1-b][1,3]thiazol-6-yl]sulfanylacetate is sourced from PubChem (CID 63809270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).