2-[methyl-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl]amino]propanoic acid

C15H18N2O2S — CID 62637791

IUPAC2-[methyl-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl]amino]propanoic acid
SMILESCc1ccc(-c2nc(CN(C)C(C)C(=O)O)cs2)cc1
InChIInChI=1S/C15H18N2O2S/c1-10-4-6-12(7-5-10)14-16-13(9-20-14)8-17(3)11(2)15(18)19/h4-7,9,11H,8H2,1-3H3,(H,18,19)
InChIKeyRJEINQBAHBGKSB-UHFFFAOYSA-N
MW290.39 g/mol
LogP3.02
Rot. Bonds5

About 2-[methyl-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl]amino]propanoic acid

2-[methyl-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl]amino]propanoic acid (PubChem CID 62637791) has the molecular formula C15H18N2O2S and a molecular weight of 290.39 g/mol. Its IUPAC name is 2-[methyl-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl]amino]propanoic acid.

Molecular Properties

Compound Name2-[methyl-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl]amino]propanoic acid
PubChem CID62637791
Molecular FormulaC15H18N2O2S
Molecular Weight290.39 g/mol
Exact Mass290.11
IUPAC Name2-[methyl-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl]amino]propanoic acid
SMILESCc1ccc(-c2nc(CN(C)C(C)C(=O)O)cs2)cc1
InChIInChI=1S/C15H18N2O2S/c1-10-4-6-12(7-5-10)14-16-13(9-20-14)8-17(3)11(2)15(18)19/h4-7,9,11H,8H2,1-3H3,(H,18,19)
InChIKeyRJEINQBAHBGKSB-UHFFFAOYSA-N
XLogP3.02
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[methyl-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl]amino]acetic acid
CID 43442512
2-[methyl-[[2-[2-(4-methylanilino)-2-oxoethyl]-1,3-thiazol-4-yl]methyl]amino]propanoic acid
CID 119913071
2-[methyl-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]amino]propanoic acid
CID 62639418
2-[cyclopropyl-[[2-(4-propan-2-ylphenyl)-1,3-thiazol-4-yl]methyl]amino]propanoic acid
CID 122100526
2-[methyl-[[2-(4-propan-2-ylphenyl)-1,3-thiazol-4-yl]methyl]amino]acetic acid
CID 119905952
N-tert-butyl-2-[methyl-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl]amino]acetamide
CID 8767147
2-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl-prop-2-ynylamino]acetic acid
CID 79270004
2-[[1-carboxy-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]amino]-4-methylpentanoic acid
CID 23572948
2-[cyclopropyl-[[2-(4-methylanilino)-1,3-thiazol-4-yl]methyl]amino]propanoic acid
CID 122100477
2-[cyclopropyl-[2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetyl]amino]propanoic acid
CID 122067262
1,1-dimethyl-3-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]urea
CID 110317361
N-benzyl-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]-N-phenylacetamide
CID 18209419

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl]amino]propanoic acid?
The IUPAC name of 2-[methyl-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl]amino]propanoic acid (CID 62637791) is 2-[methyl-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl]amino]propanoic acid.
What is the SMILES notation for 2-[methyl-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl]amino]propanoic acid?
The canonical SMILES for 2-[methyl-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl]amino]propanoic acid is Cc1ccc(-c2nc(CN(C)C(C)C(=O)O)cs2)cc1.
What is the InChIKey of 2-[methyl-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl]amino]propanoic acid?
The InChIKey is RJEINQBAHBGKSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2S/c1-10-4-6-12(7-5-10)14-16-13(9-20-14)8-17(3)11(2)15(18)19/h4-7,9,11H,8H2,1-3H3,(H,18,19).
What are the key properties of 2-[methyl-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl]amino]propanoic acid?
2-[methyl-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl]amino]propanoic acid has a molecular weight of 290.39 g/mol, XLogP of 3.02, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl]amino]propanoic acid is sourced from PubChem (CID 62637791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).