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

C14H16N2O2S — CID 43442512

IUPAC2-[methyl-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl]amino]acetic acid
SMILESCc1ccc(-c2nc(CN(C)CC(=O)O)cs2)cc1
InChIInChI=1S/C14H16N2O2S/c1-10-3-5-11(6-4-10)14-15-12(9-19-14)7-16(2)8-13(17)18/h3-6,9H,7-8H2,1-2H3,(H,17,18)
InChIKeyKNLDOPAPALLARR-UHFFFAOYSA-N
MW276.36 g/mol
LogP2.63
Rot. Bonds5

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

2-[methyl-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl]amino]acetic acid (PubChem CID 43442512) has the molecular formula C14H16N2O2S and a molecular weight of 276.36 g/mol. Its IUPAC name is 2-[methyl-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl]amino]acetic acid.

Molecular Properties

Compound Name2-[methyl-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl]amino]acetic acid
PubChem CID43442512
Molecular FormulaC14H16N2O2S
Molecular Weight276.36 g/mol
Exact Mass276.09
IUPAC Name2-[methyl-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl]amino]acetic acid
SMILESCc1ccc(-c2nc(CN(C)CC(=O)O)cs2)cc1
InChIInChI=1S/C14H16N2O2S/c1-10-3-5-11(6-4-10)14-15-12(9-19-14)7-16(2)8-13(17)18/h3-6,9H,7-8H2,1-2H3,(H,17,18)
InChIKeyKNLDOPAPALLARR-UHFFFAOYSA-N
XLogP2.63
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.36
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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-[methyl-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl]amino]propanoic acid
CID 62637791
2-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl-methylamino]-N-(4-methylphenyl)acetamide
CID 8785558
2-[2-[4-[[benzyl(methyl)amino]methyl]phenyl]-1,3-thiazol-4-yl]acetic acid
CID 39159753
2-[[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methyl-methylamino]-N-methylacetamide
CID 78826678
N-methyl-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]-N-[[4-(trifluoromethoxy)phenyl]methyl]acetamide
CID 37491918
2-[[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methyl-methylamino]-N-cyclopropylacetamide
CID 9053665
N'-methyl-N'-[(2-phenyl-1,3-thiazol-4-yl)methyl]ethane-1,2-diamine
CID 55103704
N-(2,6-dichlorophenyl)-2-[methyl-[(2-phenyl-1,3-thiazol-4-yl)methyl]amino]acetamide
CID 9287323
N-cyclopropyl-2-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl-methylamino]acetamide
CID 8909955

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl]amino]acetic acid?
The IUPAC name of 2-[methyl-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl]amino]acetic acid (CID 43442512) is 2-[methyl-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl]amino]acetic acid.
What is the SMILES notation for 2-[methyl-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl]amino]acetic acid?
The canonical SMILES for 2-[methyl-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl]amino]acetic acid is Cc1ccc(-c2nc(CN(C)CC(=O)O)cs2)cc1.
What is the InChIKey of 2-[methyl-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl]amino]acetic acid?
The InChIKey is KNLDOPAPALLARR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2S/c1-10-3-5-11(6-4-10)14-15-12(9-19-14)7-16(2)8-13(17)18/h3-6,9H,7-8H2,1-2H3,(H,17,18).
What are the key properties of 2-[methyl-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl]amino]acetic acid?
2-[methyl-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl]amino]acetic acid has a molecular weight of 276.36 g/mol, XLogP of 2.63, 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]acetic acid is sourced from PubChem (CID 43442512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).