3-[ethyl-[2-(6-methylimidazo[2,1-b][1,3]thiazol-3-yl)acetyl]amino]-2-methylpropanoic acid

C14H19N3O3S — CID 62825798

IUPAC3-[ethyl-[2-(6-methylimidazo[2,1-b][1,3]thiazol-3-yl)acetyl]amino]-2-methylpropanoic acid
SMILESCCN(CC(C)C(=O)O)C(=O)Cc1csc2nc(C)cn12
InChIInChI=1S/C14H19N3O3S/c1-4-16(6-9(2)13(19)20)12(18)5-11-8-21-14-15-10(3)7-17(11)14/h7-9H,4-6H2,1-3H3,(H,19,20)
InChIKeyWQQBHEMSAILEIL-UHFFFAOYSA-N
MW309.39 g/mol
LogP1.82
Rot. Bonds6

About 3-[ethyl-[2-(6-methylimidazo[2,1-b][1,3]thiazol-3-yl)acetyl]amino]-2-methylpropanoic acid

3-[ethyl-[2-(6-methylimidazo[2,1-b][1,3]thiazol-3-yl)acetyl]amino]-2-methylpropanoic acid (PubChem CID 62825798) has the molecular formula C14H19N3O3S and a molecular weight of 309.39 g/mol. Its IUPAC name is 3-[ethyl-[2-(6-methylimidazo[2,1-b][1,3]thiazol-3-yl)acetyl]amino]-2-methylpropanoic acid.

Molecular Properties

Compound Name3-[ethyl-[2-(6-methylimidazo[2,1-b][1,3]thiazol-3-yl)acetyl]amino]-2-methylpropanoic acid
PubChem CID62825798
Molecular FormulaC14H19N3O3S
Molecular Weight309.39 g/mol
Exact Mass309.11
IUPAC Name3-[ethyl-[2-(6-methylimidazo[2,1-b][1,3]thiazol-3-yl)acetyl]amino]-2-methylpropanoic acid
SMILESCCN(CC(C)C(=O)O)C(=O)Cc1csc2nc(C)cn12
InChIInChI=1S/C14H19N3O3S/c1-4-16(6-9(2)13(19)20)12(18)5-11-8-21-14-15-10(3)7-17(11)14/h7-9H,4-6H2,1-3H3,(H,19,20)
InChIKeyWQQBHEMSAILEIL-UHFFFAOYSA-N
XLogP1.82
TPSA74.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.39
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-(6-methylimidazo[2,1-b][1,3]thiazol-3-yl)acetamide
CID 107482949
3-[ethyl-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]-2-methylpropanoic acid
CID 55123103
3-hydroxy-2-[[2-(6-methylimidazo[2,1-b][1,3]thiazol-3-yl)acetyl]amino]propanoic acid
CID 43357887
(2R)-3,3-dimethyl-2-[[2-(6-methylimidazo[2,1-b][1,3]thiazol-3-yl)acetyl]amino]butanoic acid
CID 103926426
N-ethyl-N-(2-hydroxyethyl)-3-(6-methylimidazo[2,1-b][1,3]thiazol-3-yl)propanamide
CID 109468091
3-[[2-(2-amino-1,3-thiazol-4-yl)acetyl]-ethylamino]-2-methylpropanoic acid
CID 62852454
2-(6-methylimidazo[2,1-b][1,3]thiazol-3-yl)-N-propylacetamide
CID 60699918
N,N-diethyl-2-[6-(3-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide
CID 40509499
N-[1-(hydroxymethyl)cyclohexyl]-2-(6-methylimidazo[2,1-b][1,3]thiazol-3-yl)acetamide
CID 62521465
N-(2-hydroxy-4-methylpentyl)-2-(6-methylimidazo[2,1-b][1,3]thiazol-3-yl)acetamide
CID 107155272
1-[[2-(6-methylimidazo[2,1-b][1,3]thiazol-3-yl)acetyl]amino]cyclobutane-1-carboxylic acid
CID 81158589
3-[ethyl-(2-imidazo[1,2-a]pyridin-2-ylacetyl)amino]-2-methylpropanoic acid
CID 62825599

Frequently Asked Questions

What is the IUPAC name of 3-[ethyl-[2-(6-methylimidazo[2,1-b][1,3]thiazol-3-yl)acetyl]amino]-2-methylpropanoic acid?
The IUPAC name of 3-[ethyl-[2-(6-methylimidazo[2,1-b][1,3]thiazol-3-yl)acetyl]amino]-2-methylpropanoic acid (CID 62825798) is 3-[ethyl-[2-(6-methylimidazo[2,1-b][1,3]thiazol-3-yl)acetyl]amino]-2-methylpropanoic acid.
What is the SMILES notation for 3-[ethyl-[2-(6-methylimidazo[2,1-b][1,3]thiazol-3-yl)acetyl]amino]-2-methylpropanoic acid?
The canonical SMILES for 3-[ethyl-[2-(6-methylimidazo[2,1-b][1,3]thiazol-3-yl)acetyl]amino]-2-methylpropanoic acid is CCN(CC(C)C(=O)O)C(=O)Cc1csc2nc(C)cn12.
What is the InChIKey of 3-[ethyl-[2-(6-methylimidazo[2,1-b][1,3]thiazol-3-yl)acetyl]amino]-2-methylpropanoic acid?
The InChIKey is WQQBHEMSAILEIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3S/c1-4-16(6-9(2)13(19)20)12(18)5-11-8-21-14-15-10(3)7-17(11)14/h7-9H,4-6H2,1-3H3,(H,19,20).
What are the key properties of 3-[ethyl-[2-(6-methylimidazo[2,1-b][1,3]thiazol-3-yl)acetyl]amino]-2-methylpropanoic acid?
3-[ethyl-[2-(6-methylimidazo[2,1-b][1,3]thiazol-3-yl)acetyl]amino]-2-methylpropanoic acid has a molecular weight of 309.39 g/mol, XLogP of 1.82, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl-[2-(6-methylimidazo[2,1-b][1,3]thiazol-3-yl)acetyl]amino]-2-methylpropanoic acid is sourced from PubChem (CID 62825798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).