methyl 3-[(2-imidazo[2,1-b][1,3]thiazol-6-ylacetyl)amino]propanoate

C11H13N3O3S — CID 60690600

IUPACmethyl 3-[(2-imidazo[2,1-b][1,3]thiazol-6-ylacetyl)amino]propanoate
SMILESCOC(=O)CCNC(=O)Cc1cn2ccsc2n1
InChIInChI=1S/C11H13N3O3S/c1-17-10(16)2-3-12-9(15)6-8-7-14-4-5-18-11(14)13-8/h4-5,7H,2-3,6H2,1H3,(H,12,15)
InChIKeyRCGAOXAWEFXKSV-UHFFFAOYSA-N
MW267.31 g/mol
LogP0.62
Rot. Bonds5

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

methyl 3-[(2-imidazo[2,1-b][1,3]thiazol-6-ylacetyl)amino]propanoate (PubChem CID 60690600) has the molecular formula C11H13N3O3S and a molecular weight of 267.31 g/mol. Its IUPAC name is methyl 3-[(2-imidazo[2,1-b][1,3]thiazol-6-ylacetyl)amino]propanoate.

Molecular Properties

Compound Namemethyl 3-[(2-imidazo[2,1-b][1,3]thiazol-6-ylacetyl)amino]propanoate
PubChem CID60690600
Molecular FormulaC11H13N3O3S
Molecular Weight267.31 g/mol
Exact Mass267.07
IUPAC Namemethyl 3-[(2-imidazo[2,1-b][1,3]thiazol-6-ylacetyl)amino]propanoate
SMILESCOC(=O)CCNC(=O)Cc1cn2ccsc2n1
InChIInChI=1S/C11H13N3O3S/c1-17-10(16)2-3-12-9(15)6-8-7-14-4-5-18-11(14)13-8/h4-5,7H,2-3,6H2,1H3,(H,12,15)
InChIKeyRCGAOXAWEFXKSV-UHFFFAOYSA-N
XLogP0.62
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.31
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-imidazo[2,1-b][1,3]thiazol-6-yl-N-[2-(4-methylphenoxy)ethyl]acetamide
CID 18113438
2-(imidazo[2,1-b][1,3]thiazol-6-ylmethylamino)-N-(2-methoxyethyl)acetamide
CID 112683612
1-imidazo[2,1-b][1,3]thiazol-6-yl-4-methoxybutan-2-one
CID 115333077
2-imidazo[2,1-b][1,3]thiazol-6-yl-N-(2-phenoxyethyl)acetamide
CID 32933501
N-[2-(3-ethoxycyclobutyl)ethyl]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide
CID 126773652
methyl 2-[(2-imidazo[2,1-b][1,3]thiazol-6-ylacetyl)-methylamino]acetate
CID 43408802
2-imidazo[2,1-b][1,3]thiazol-6-yl-N-(2,2,2-trifluoroethyl)acetamide
CID 134025216
N-[2-(tert-butylamino)-2-oxoethyl]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide
CID 31563729
methyl 2-(imidazo[2,1-b][1,3]thiazol-6-ylmethylamino)acetate
CID 115331415
N-[2-(4-chlorophenoxy)ethyl]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide
CID 31336221
N-[3-[ethyl(methylsulfonyl)amino]propyl]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide
CID 60552370
2-imidazo[2,1-b][1,3]thiazol-6-yl-N-[2-(3-methylphenoxy)ethyl]acetamide
CID 40723170

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(2-imidazo[2,1-b][1,3]thiazol-6-ylacetyl)amino]propanoate?
The IUPAC name of methyl 3-[(2-imidazo[2,1-b][1,3]thiazol-6-ylacetyl)amino]propanoate (CID 60690600) is methyl 3-[(2-imidazo[2,1-b][1,3]thiazol-6-ylacetyl)amino]propanoate.
What is the SMILES notation for methyl 3-[(2-imidazo[2,1-b][1,3]thiazol-6-ylacetyl)amino]propanoate?
The canonical SMILES for methyl 3-[(2-imidazo[2,1-b][1,3]thiazol-6-ylacetyl)amino]propanoate is COC(=O)CCNC(=O)Cc1cn2ccsc2n1.
What is the InChIKey of methyl 3-[(2-imidazo[2,1-b][1,3]thiazol-6-ylacetyl)amino]propanoate?
The InChIKey is RCGAOXAWEFXKSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O3S/c1-17-10(16)2-3-12-9(15)6-8-7-14-4-5-18-11(14)13-8/h4-5,7H,2-3,6H2,1H3,(H,12,15).
What are the key properties of methyl 3-[(2-imidazo[2,1-b][1,3]thiazol-6-ylacetyl)amino]propanoate?
methyl 3-[(2-imidazo[2,1-b][1,3]thiazol-6-ylacetyl)amino]propanoate has a molecular weight of 267.31 g/mol, XLogP of 0.62, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(2-imidazo[2,1-b][1,3]thiazol-6-ylacetyl)amino]propanoate is sourced from PubChem (CID 60690600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).