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

C13H11N3O3S2 — CID 43408037

IUPACmethyl 3-[(2-imidazo[2,1-b][1,3]thiazol-6-ylacetyl)amino]thiophene-2-carboxylate
SMILESCOC(=O)c1sccc1NC(=O)Cc1cn2ccsc2n1
InChIInChI=1S/C13H11N3O3S2/c1-19-12(18)11-9(2-4-20-11)15-10(17)6-8-7-16-3-5-21-13(16)14-8/h2-5,7H,6H2,1H3,(H,15,17)
InChIKeyGIOGDNZMQJTGRF-UHFFFAOYSA-N
MW321.38 g/mol
LogP2.43
Rot. Bonds4

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

methyl 3-[(2-imidazo[2,1-b][1,3]thiazol-6-ylacetyl)amino]thiophene-2-carboxylate (PubChem CID 43408037) has the molecular formula C13H11N3O3S2 and a molecular weight of 321.38 g/mol. Its IUPAC name is methyl 3-[(2-imidazo[2,1-b][1,3]thiazol-6-ylacetyl)amino]thiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-[(2-imidazo[2,1-b][1,3]thiazol-6-ylacetyl)amino]thiophene-2-carboxylate
PubChem CID43408037
Molecular FormulaC13H11N3O3S2
Molecular Weight321.38 g/mol
Exact Mass321.02
IUPAC Namemethyl 3-[(2-imidazo[2,1-b][1,3]thiazol-6-ylacetyl)amino]thiophene-2-carboxylate
SMILESCOC(=O)c1sccc1NC(=O)Cc1cn2ccsc2n1
InChIInChI=1S/C13H11N3O3S2/c1-19-12(18)11-9(2-4-20-11)15-10(17)6-8-7-16-3-5-21-13(16)14-8/h2-5,7H,6H2,1H3,(H,15,17)
InChIKeyGIOGDNZMQJTGRF-UHFFFAOYSA-N
XLogP2.43
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze methyl 3-[(2-imidazo[2,1-b][1,3]thiazol-6-ylacetyl)amino]thiophene-2-carboxylate with MolForge

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Related Compounds

2-imidazo[2,1-b][1,3]thiazol-6-yl-N-phenylacetamide
CID 4623847
methyl 3-[[2-[4-(chloromethyl)-1,3-thiazol-2-yl]acetyl]amino]thiophene-2-carboxylate
CID 43137996
methyl 3-[(2-pyridin-4-ylacetyl)amino]thiophene-2-carboxylate
CID 43623574
N-(4-chlorophenyl)-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide
CID 5057213
methyl 3-[(2-imidazo[2,1-b][1,3]thiazol-6-ylacetyl)amino]propanoate
CID 60690600
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide
CID 26881446
methyl 3-[[2-(2H-tetrazol-5-yl)acetyl]amino]thiophene-2-carboxylate
CID 110499554
6-[(2-imidazo[2,1-b][1,3]thiazol-6-ylacetyl)amino]pyridine-2-carboxamide
CID 71873494
methyl 3-(3-bromopropanoylamino)thiophene-2-carboxylate
CID 69190095
N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-(4-methoxyphenoxy)acetamide
CID 134027741
N-[1-(2,4-dimethoxyphenyl)ethyl]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide
CID 134053660
2-imidazo[2,1-b][1,3]thiazol-6-yl-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)acetamide
CID 3660815

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(2-imidazo[2,1-b][1,3]thiazol-6-ylacetyl)amino]thiophene-2-carboxylate?
The IUPAC name of methyl 3-[(2-imidazo[2,1-b][1,3]thiazol-6-ylacetyl)amino]thiophene-2-carboxylate (CID 43408037) is methyl 3-[(2-imidazo[2,1-b][1,3]thiazol-6-ylacetyl)amino]thiophene-2-carboxylate.
What is the SMILES notation for methyl 3-[(2-imidazo[2,1-b][1,3]thiazol-6-ylacetyl)amino]thiophene-2-carboxylate?
The canonical SMILES for methyl 3-[(2-imidazo[2,1-b][1,3]thiazol-6-ylacetyl)amino]thiophene-2-carboxylate is COC(=O)c1sccc1NC(=O)Cc1cn2ccsc2n1.
What is the InChIKey of methyl 3-[(2-imidazo[2,1-b][1,3]thiazol-6-ylacetyl)amino]thiophene-2-carboxylate?
The InChIKey is GIOGDNZMQJTGRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O3S2/c1-19-12(18)11-9(2-4-20-11)15-10(17)6-8-7-16-3-5-21-13(16)14-8/h2-5,7H,6H2,1H3,(H,15,17).
What are the key properties of methyl 3-[(2-imidazo[2,1-b][1,3]thiazol-6-ylacetyl)amino]thiophene-2-carboxylate?
methyl 3-[(2-imidazo[2,1-b][1,3]thiazol-6-ylacetyl)amino]thiophene-2-carboxylate has a molecular weight of 321.38 g/mol, XLogP of 2.43, 4 rotatable bonds, 1 hydrogen bond donors, and 7 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]thiophene-2-carboxylate is sourced from PubChem (CID 43408037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).