4-methyl-2-[(5-methyl-1,3-thiazol-2-yl)methylideneamino]pentanoic acid

C11H16N2O2S — CID 69143310

IUPAC4-methyl-2-[(5-methyl-1,3-thiazol-2-yl)methylideneamino]pentanoic acid
SMILESCc1cnc(/C=N/C(CC(C)C)C(=O)O)s1
InChIInChI=1S/C11H16N2O2S/c1-7(2)4-9(11(14)15)12-6-10-13-5-8(3)16-10/h5-7,9H,4H2,1-3H3,(H,14,15)/b12-6+
InChIKeySWEUCSSYRVKZRV-WUXMJOGZSA-N
MW240.33 g/mol
LogP2.37
Rot. Bonds5

About 4-methyl-2-[(5-methyl-1,3-thiazol-2-yl)methylideneamino]pentanoic acid

4-methyl-2-[(5-methyl-1,3-thiazol-2-yl)methylideneamino]pentanoic acid (PubChem CID 69143310) has the molecular formula C11H16N2O2S and a molecular weight of 240.33 g/mol. Its IUPAC name is 4-methyl-2-[(5-methyl-1,3-thiazol-2-yl)methylideneamino]pentanoic acid.

Molecular Properties

Compound Name4-methyl-2-[(5-methyl-1,3-thiazol-2-yl)methylideneamino]pentanoic acid
PubChem CID69143310
Molecular FormulaC11H16N2O2S
Molecular Weight240.33 g/mol
Exact Mass240.09
IUPAC Name4-methyl-2-[(5-methyl-1,3-thiazol-2-yl)methylideneamino]pentanoic acid
SMILESCc1cnc(/C=N/C(CC(C)C)C(=O)O)s1
InChIInChI=1S/C11H16N2O2S/c1-7(2)4-9(11(14)15)12-6-10-13-5-8(3)16-10/h5-7,9H,4H2,1-3H3,(H,14,15)/b12-6+
InChIKeySWEUCSSYRVKZRV-WUXMJOGZSA-N
XLogP2.37
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.33
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[(5-methyl-1,3-thiazol-2-yl)methylideneamino]pentanoic acid?
The IUPAC name of 4-methyl-2-[(5-methyl-1,3-thiazol-2-yl)methylideneamino]pentanoic acid (CID 69143310) is 4-methyl-2-[(5-methyl-1,3-thiazol-2-yl)methylideneamino]pentanoic acid.
What is the SMILES notation for 4-methyl-2-[(5-methyl-1,3-thiazol-2-yl)methylideneamino]pentanoic acid?
The canonical SMILES for 4-methyl-2-[(5-methyl-1,3-thiazol-2-yl)methylideneamino]pentanoic acid is Cc1cnc(/C=N/C(CC(C)C)C(=O)O)s1.
What is the InChIKey of 4-methyl-2-[(5-methyl-1,3-thiazol-2-yl)methylideneamino]pentanoic acid?
The InChIKey is SWEUCSSYRVKZRV-WUXMJOGZSA-N. The full InChI is InChI=1S/C11H16N2O2S/c1-7(2)4-9(11(14)15)12-6-10-13-5-8(3)16-10/h5-7,9H,4H2,1-3H3,(H,14,15)/b12-6+.
What are the key properties of 4-methyl-2-[(5-methyl-1,3-thiazol-2-yl)methylideneamino]pentanoic acid?
4-methyl-2-[(5-methyl-1,3-thiazol-2-yl)methylideneamino]pentanoic acid has a molecular weight of 240.33 g/mol, XLogP of 2.37, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[(5-methyl-1,3-thiazol-2-yl)methylideneamino]pentanoic acid is sourced from PubChem (CID 69143310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).