methyl 3-[(2-imidazo[2,1-b][1,3]thiazol-6-ylacetyl)amino]-3-(4-methylphenyl)propanoate

C18H19N3O3S — CID 51257249

IUPACmethyl 3-[(2-imidazo[2,1-b][1,3]thiazol-6-ylacetyl)amino]-3-(4-methylphenyl)propanoate
SMILESCOC(=O)CC(NC(=O)Cc1cn2ccsc2n1)c1ccc(C)cc1
InChIInChI=1S/C18H19N3O3S/c1-12-3-5-13(6-4-12)15(10-17(23)24-2)20-16(22)9-14-11-21-7-8-25-18(21)19-14/h3-8,11,15H,9-10H2,1-2H3,(H,20,22)
InChIKeyJVIVPZVLIHLWAY-UHFFFAOYSA-N
MW357.44 g/mol
LogP2.67
Rot. Bonds6

About methyl 3-[(2-imidazo[2,1-b][1,3]thiazol-6-ylacetyl)amino]-3-(4-methylphenyl)propanoate

methyl 3-[(2-imidazo[2,1-b][1,3]thiazol-6-ylacetyl)amino]-3-(4-methylphenyl)propanoate (PubChem CID 51257249) has the molecular formula C18H19N3O3S and a molecular weight of 357.44 g/mol. Its IUPAC name is methyl 3-[(2-imidazo[2,1-b][1,3]thiazol-6-ylacetyl)amino]-3-(4-methylphenyl)propanoate.

Molecular Properties

Compound Namemethyl 3-[(2-imidazo[2,1-b][1,3]thiazol-6-ylacetyl)amino]-3-(4-methylphenyl)propanoate
PubChem CID51257249
Molecular FormulaC18H19N3O3S
Molecular Weight357.44 g/mol
Exact Mass357.11
IUPAC Namemethyl 3-[(2-imidazo[2,1-b][1,3]thiazol-6-ylacetyl)amino]-3-(4-methylphenyl)propanoate
SMILESCOC(=O)CC(NC(=O)Cc1cn2ccsc2n1)c1ccc(C)cc1
InChIInChI=1S/C18H19N3O3S/c1-12-3-5-13(6-4-12)15(10-17(23)24-2)20-16(22)9-14-11-21-7-8-25-18(21)19-14/h3-8,11,15H,9-10H2,1-2H3,(H,20,22)
InChIKeyJVIVPZVLIHLWAY-UHFFFAOYSA-N
XLogP2.67
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.44
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 3-[(2-imidazo[2,1-b][1,3]thiazol-6-ylacetyl)amino]-3-(4-methylphenyl)propanoate with MolForge

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Related Compounds

[2-[[(1R)-1-(4-methylphenyl)propyl]amino]-2-oxoethyl] 2-imidazo[2,1-b][1,3]thiazol-6-ylacetate
CID 8816656
methyl 3-[(2-imidazo[2,1-b][1,3]thiazol-6-ylacetyl)amino]propanoate
CID 60690600
2-imidazo[2,1-b][1,3]thiazol-6-yl-N-[1-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]acetamide
CID 46432216
(1S)-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-1-(4-methylphenyl)ethanamine
CID 115331752
methyl 2-[(2-imidazo[2,1-b][1,3]thiazol-6-ylacetyl)-methylamino]acetate
CID 43408802
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-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]acetamide
CID 25351863
N-[(3-hydroxycyclobutyl)-(6-methoxy-3-pyridinyl)methyl]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide
CID 91773303
N-[3,4-bis(4-chlorophenyl)butan-2-yl]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide
CID 23404768
methyl 2-(imidazo[2,1-b][1,3]thiazol-6-ylmethylamino)acetate
CID 115331415
methyl 3-[[2-(3-methoxyphenyl)acetyl]amino]-3-(4-methylphenyl)propanoate
CID 42920468
[(1S)-2-(2-methoxy-5-methylanilino)-2-oxo-1-phenylethyl] 2-imidazo[2,1-b][1,3]thiazol-6-ylacetate
CID 41384630

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(2-imidazo[2,1-b][1,3]thiazol-6-ylacetyl)amino]-3-(4-methylphenyl)propanoate?
The IUPAC name of methyl 3-[(2-imidazo[2,1-b][1,3]thiazol-6-ylacetyl)amino]-3-(4-methylphenyl)propanoate (CID 51257249) is methyl 3-[(2-imidazo[2,1-b][1,3]thiazol-6-ylacetyl)amino]-3-(4-methylphenyl)propanoate.
What is the SMILES notation for methyl 3-[(2-imidazo[2,1-b][1,3]thiazol-6-ylacetyl)amino]-3-(4-methylphenyl)propanoate?
The canonical SMILES for methyl 3-[(2-imidazo[2,1-b][1,3]thiazol-6-ylacetyl)amino]-3-(4-methylphenyl)propanoate is COC(=O)CC(NC(=O)Cc1cn2ccsc2n1)c1ccc(C)cc1.
What is the InChIKey of methyl 3-[(2-imidazo[2,1-b][1,3]thiazol-6-ylacetyl)amino]-3-(4-methylphenyl)propanoate?
The InChIKey is JVIVPZVLIHLWAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O3S/c1-12-3-5-13(6-4-12)15(10-17(23)24-2)20-16(22)9-14-11-21-7-8-25-18(21)19-14/h3-8,11,15H,9-10H2,1-2H3,(H,20,22).
What are the key properties of methyl 3-[(2-imidazo[2,1-b][1,3]thiazol-6-ylacetyl)amino]-3-(4-methylphenyl)propanoate?
methyl 3-[(2-imidazo[2,1-b][1,3]thiazol-6-ylacetyl)amino]-3-(4-methylphenyl)propanoate has a molecular weight of 357.44 g/mol, XLogP of 2.67, 6 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]-3-(4-methylphenyl)propanoate is sourced from PubChem (CID 51257249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).