2-methyl-2-[2-[(3-methyl-1,2-oxazol-5-yl)methylamino]-1,3-thiazol-4-yl]propanoic acid

C12H15N3O3S — CID 113369944

IUPAC2-methyl-2-[2-[(3-methyl-1,2-oxazol-5-yl)methylamino]-1,3-thiazol-4-yl]propanoic acid
SMILESCc1cc(CNc2nc(C(C)(C)C(=O)O)cs2)on1
InChIInChI=1S/C12H15N3O3S/c1-7-4-8(18-15-7)5-13-11-14-9(6-19-11)12(2,3)10(16)17/h4,6H,5H2,1-3H3,(H,13,14)(H,16,17)
InChIKeyBLGKJRZLDHYAJJ-UHFFFAOYSA-N
MW281.34 g/mol
LogP2.41
Rot. Bonds5

About 2-methyl-2-[2-[(3-methyl-1,2-oxazol-5-yl)methylamino]-1,3-thiazol-4-yl]propanoic acid

2-methyl-2-[2-[(3-methyl-1,2-oxazol-5-yl)methylamino]-1,3-thiazol-4-yl]propanoic acid (PubChem CID 113369944) has the molecular formula C12H15N3O3S and a molecular weight of 281.34 g/mol. Its IUPAC name is 2-methyl-2-[2-[(3-methyl-1,2-oxazol-5-yl)methylamino]-1,3-thiazol-4-yl]propanoic acid.

Molecular Properties

Compound Name2-methyl-2-[2-[(3-methyl-1,2-oxazol-5-yl)methylamino]-1,3-thiazol-4-yl]propanoic acid
PubChem CID113369944
Molecular FormulaC12H15N3O3S
Molecular Weight281.34 g/mol
Exact Mass281.08
IUPAC Name2-methyl-2-[2-[(3-methyl-1,2-oxazol-5-yl)methylamino]-1,3-thiazol-4-yl]propanoic acid
SMILESCc1cc(CNc2nc(C(C)(C)C(=O)O)cs2)on1
InChIInChI=1S/C12H15N3O3S/c1-7-4-8(18-15-7)5-13-11-14-9(6-19-11)12(2,3)10(16)17/h4,6H,5H2,1-3H3,(H,13,14)(H,16,17)
InChIKeyBLGKJRZLDHYAJJ-UHFFFAOYSA-N
XLogP2.41
TPSA88.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.34
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-methyl-2-[2-[(3-methyl-1,2-oxazol-5-yl)methylamino]-1,3-thiazol-4-yl]propanoic acid with MolForge

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Related Compounds

2-[2-(cyclopentylmethylamino)-1,3-thiazol-4-yl]-2-methylpropanoic acid
CID 113369903
2-methyl-2-[2-(oxan-4-ylmethylamino)-1,3-thiazol-4-yl]propanoic acid
CID 113369967
2-methyl-2-[2-(4-methylpentylamino)-1,3-thiazol-4-yl]propanoic acid
CID 113369963
2,2,3-trimethyl-3-[(3-methyl-1,2-oxazol-5-yl)methylcarbamoylamino]butanoic acid
CID 65263958
ethyl 2-methyl-2-[2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]-1,3-thiazol-4-yl]propanoate
CID 106411445
2-methyl-2-[(3-methyl-1,2-oxazol-5-yl)methylamino]pentanoic acid
CID 43619558
2-[2-(5-ethylfuran-2-yl)-1,3-thiazol-4-yl]-2-methylpropanoic acid
CID 113369795
2,4-dimethyl-2-[(3-methyl-1,2-oxazol-5-yl)methylamino]pentanoic acid
CID 115000495
2-amino-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-2-phenylpropanamide;hydrochloride
CID 120590598
2-methyl-2-[2-(thiolan-3-ylmethylamino)-1,3-thiazol-4-yl]propanoic acid
CID 107298664
2-[(3-methyl-1,2-oxazol-5-yl)methylcarbamoyl]-1,3-thiazole-4-carboxylic acid
CID 116696977
2-(3-methyl-1,2-oxazol-5-yl)acetohydrazide;hydrochloride
CID 66651040

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[2-[(3-methyl-1,2-oxazol-5-yl)methylamino]-1,3-thiazol-4-yl]propanoic acid?
The IUPAC name of 2-methyl-2-[2-[(3-methyl-1,2-oxazol-5-yl)methylamino]-1,3-thiazol-4-yl]propanoic acid (CID 113369944) is 2-methyl-2-[2-[(3-methyl-1,2-oxazol-5-yl)methylamino]-1,3-thiazol-4-yl]propanoic acid.
What is the SMILES notation for 2-methyl-2-[2-[(3-methyl-1,2-oxazol-5-yl)methylamino]-1,3-thiazol-4-yl]propanoic acid?
The canonical SMILES for 2-methyl-2-[2-[(3-methyl-1,2-oxazol-5-yl)methylamino]-1,3-thiazol-4-yl]propanoic acid is Cc1cc(CNc2nc(C(C)(C)C(=O)O)cs2)on1.
What is the InChIKey of 2-methyl-2-[2-[(3-methyl-1,2-oxazol-5-yl)methylamino]-1,3-thiazol-4-yl]propanoic acid?
The InChIKey is BLGKJRZLDHYAJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O3S/c1-7-4-8(18-15-7)5-13-11-14-9(6-19-11)12(2,3)10(16)17/h4,6H,5H2,1-3H3,(H,13,14)(H,16,17).
What are the key properties of 2-methyl-2-[2-[(3-methyl-1,2-oxazol-5-yl)methylamino]-1,3-thiazol-4-yl]propanoic acid?
2-methyl-2-[2-[(3-methyl-1,2-oxazol-5-yl)methylamino]-1,3-thiazol-4-yl]propanoic acid has a molecular weight of 281.34 g/mol, XLogP of 2.41, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[2-[(3-methyl-1,2-oxazol-5-yl)methylamino]-1,3-thiazol-4-yl]propanoic acid is sourced from PubChem (CID 113369944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).