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

C11H13N3O4S — CID 43357887

IUPAC3-hydroxy-2-[[2-(6-methylimidazo[2,1-b][1,3]thiazol-3-yl)acetyl]amino]propanoic acid
SMILESCc1cn2c(CC(=O)NC(CO)C(=O)O)csc2n1
InChIInChI=1S/C11H13N3O4S/c1-6-3-14-7(5-19-11(14)12-6)2-9(16)13-8(4-15)10(17)18/h3,5,8,15H,2,4H2,1H3,(H,13,16)(H,17,18)
InChIKeyBUOFAKWSYVIBAP-UHFFFAOYSA-N
MW283.31 g/mol
LogP-0.19
Rot. Bonds5

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

3-hydroxy-2-[[2-(6-methylimidazo[2,1-b][1,3]thiazol-3-yl)acetyl]amino]propanoic acid (PubChem CID 43357887) has the molecular formula C11H13N3O4S and a molecular weight of 283.31 g/mol. Its IUPAC name is 3-hydroxy-2-[[2-(6-methylimidazo[2,1-b][1,3]thiazol-3-yl)acetyl]amino]propanoic acid.

Molecular Properties

Compound Name3-hydroxy-2-[[2-(6-methylimidazo[2,1-b][1,3]thiazol-3-yl)acetyl]amino]propanoic acid
PubChem CID43357887
Molecular FormulaC11H13N3O4S
Molecular Weight283.31 g/mol
Exact Mass283.06
IUPAC Name3-hydroxy-2-[[2-(6-methylimidazo[2,1-b][1,3]thiazol-3-yl)acetyl]amino]propanoic acid
SMILESCc1cn2c(CC(=O)NC(CO)C(=O)O)csc2n1
InChIInChI=1S/C11H13N3O4S/c1-6-3-14-7(5-19-11(14)12-6)2-9(16)13-8(4-15)10(17)18/h3,5,8,15H,2,4H2,1H3,(H,13,16)(H,17,18)
InChIKeyBUOFAKWSYVIBAP-UHFFFAOYSA-N
XLogP-0.19
TPSA103.93 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.31
LogP ≤ 5-0.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

3,3,3-Trifluoro-2-[(2-imidazo[2,1-b][1,3]thiazol-6-ylacetyl)amino]-2-methylpropanoic acid
CID 79791667
2-imidazo[2,1-b][1,3]thiazol-6-yl-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide
CID 103723167
N-(3,3-difluoro-2-hydroxypropyl)-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide
CID 103770471
2-(6-methylimidazo[2,1-b][1,3]thiazol-3-yl)-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide
CID 105648464
N-(3,3-difluoro-2-hydroxypropyl)-2-(6-methylimidazo[2,1-b][1,3]thiazol-3-yl)acetamide
CID 105648988
N-(2,2-difluoro-3-hydroxypropyl)-2-(6-methylimidazo[2,1-b][1,3]thiazol-3-yl)acetamide
CID 106168638
N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-(6-methylimidazo[2,1-b][1,3]thiazol-3-yl)acetamide
CID 107482949
N-(2-hydroxyethyl)-2-(6-methylimidazo[2,1-b][1,3]thiazol-3-yl)-N-(2,2,2-trifluoroethyl)acetamide
CID 107483407
4-[2-(3-Methylimidazo[2,1-b][1,3]thiazol-6-yl)ethylamino]-4-oxobutanoic acid
CID 7150824
2-(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)-N-(2-sulfanylethyl)acetamide
CID 177679593
2-(6-Methylimidazo[2,1-b][1,3]thiazol-3-yl)acetamide
CID 43091254
4-[2-(3-Methylimidazo[2,1-b][1,3]thiazol-6-yl)ethylamino]-4-oxobutanoate
CID 7150823

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-2-[[2-(6-methylimidazo[2,1-b][1,3]thiazol-3-yl)acetyl]amino]propanoic acid?
The IUPAC name of 3-hydroxy-2-[[2-(6-methylimidazo[2,1-b][1,3]thiazol-3-yl)acetyl]amino]propanoic acid (CID 43357887) is 3-hydroxy-2-[[2-(6-methylimidazo[2,1-b][1,3]thiazol-3-yl)acetyl]amino]propanoic acid.
What is the SMILES notation for 3-hydroxy-2-[[2-(6-methylimidazo[2,1-b][1,3]thiazol-3-yl)acetyl]amino]propanoic acid?
The canonical SMILES for 3-hydroxy-2-[[2-(6-methylimidazo[2,1-b][1,3]thiazol-3-yl)acetyl]amino]propanoic acid is Cc1cn2c(CC(=O)NC(CO)C(=O)O)csc2n1.
What is the InChIKey of 3-hydroxy-2-[[2-(6-methylimidazo[2,1-b][1,3]thiazol-3-yl)acetyl]amino]propanoic acid?
The InChIKey is BUOFAKWSYVIBAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O4S/c1-6-3-14-7(5-19-11(14)12-6)2-9(16)13-8(4-15)10(17)18/h3,5,8,15H,2,4H2,1H3,(H,13,16)(H,17,18).
What are the key properties of 3-hydroxy-2-[[2-(6-methylimidazo[2,1-b][1,3]thiazol-3-yl)acetyl]amino]propanoic acid?
3-hydroxy-2-[[2-(6-methylimidazo[2,1-b][1,3]thiazol-3-yl)acetyl]amino]propanoic acid has a molecular weight of 283.31 g/mol, XLogP of -0.19, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-2-[[2-(6-methylimidazo[2,1-b][1,3]thiazol-3-yl)acetyl]amino]propanoic acid is sourced from PubChem (CID 43357887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).