2-[(2-methyl-1,3-thiazol-5-yl)methylamino]hexanoic acid

C11H18N2O2S — CID 103243285

IUPAC2-[(2-methyl-1,3-thiazol-5-yl)methylamino]hexanoic acid
SMILESCCCCC(NCc1cnc(C)s1)C(=O)O
InChIInChI=1S/C11H18N2O2S/c1-3-4-5-10(11(14)15)13-7-9-6-12-8(2)16-9/h6,10,13H,3-5,7H2,1-2H3,(H,14,15)
InChIKeyOCAOPLYVCJXPMF-UHFFFAOYSA-N
MW242.34 g/mol
LogP2.18
Rot. Bonds7

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

2-[(2-methyl-1,3-thiazol-5-yl)methylamino]hexanoic acid (PubChem CID 103243285) has the molecular formula C11H18N2O2S and a molecular weight of 242.34 g/mol. Its IUPAC name is 2-[(2-methyl-1,3-thiazol-5-yl)methylamino]hexanoic acid.

Molecular Properties

Compound Name2-[(2-methyl-1,3-thiazol-5-yl)methylamino]hexanoic acid
PubChem CID103243285
Molecular FormulaC11H18N2O2S
Molecular Weight242.34 g/mol
Exact Mass242.11
IUPAC Name2-[(2-methyl-1,3-thiazol-5-yl)methylamino]hexanoic acid
SMILESCCCCC(NCc1cnc(C)s1)C(=O)O
InChIInChI=1S/C11H18N2O2S/c1-3-4-5-10(11(14)15)13-7-9-6-12-8(2)16-9/h6,10,13H,3-5,7H2,1-2H3,(H,14,15)
InChIKeyOCAOPLYVCJXPMF-UHFFFAOYSA-N
XLogP2.18
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.34
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-methyl-1,3-thiazol-5-yl)methyl]hexan-2-amine
CID 61281607
2-[[2-(4-bromophenyl)-1,3-thiazol-5-yl]methylamino]hexanoic acid
CID 120510162
2-[(2-methyl-1,3-thiazole-5-carbonyl)amino]hexanoic acid
CID 104543694
methyl 2-[(2-methyl-1,3-thiazol-5-yl)methylamino]butanoate
CID 115353240
(2R)-2-[(2-methyl-1,3-thiazol-5-yl)methylcarbamoylamino]hexanedioic acid
CID 107839056
2-[(2-methyl-1,3-thiazol-5-yl)methylcarbamoylamino]butanoic acid
CID 54962423
(2S)-3-hydroxy-2-[(2-methyl-1,3-thiazol-5-yl)methylcarbamoylamino]propanoic acid
CID 54962472
2-[(2-methylpyrimidin-4-yl)methylamino]hexanoic acid
CID 103241040
2-[(2-phenylpyrimidin-5-yl)methylamino]hexanoic acid
CID 91671248
(2R)-2-(benzylamino)hexanoic acid
CID 129366307
2-(pyridin-4-ylmethylamino)hexanoic acid
CID 103236246
2-[[5-(4-bromophenyl)thiophen-2-yl]methylamino]hexanoic acid
CID 120510226

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methyl-1,3-thiazol-5-yl)methylamino]hexanoic acid?
The IUPAC name of 2-[(2-methyl-1,3-thiazol-5-yl)methylamino]hexanoic acid (CID 103243285) is 2-[(2-methyl-1,3-thiazol-5-yl)methylamino]hexanoic acid.
What is the SMILES notation for 2-[(2-methyl-1,3-thiazol-5-yl)methylamino]hexanoic acid?
The canonical SMILES for 2-[(2-methyl-1,3-thiazol-5-yl)methylamino]hexanoic acid is CCCCC(NCc1cnc(C)s1)C(=O)O.
What is the InChIKey of 2-[(2-methyl-1,3-thiazol-5-yl)methylamino]hexanoic acid?
The InChIKey is OCAOPLYVCJXPMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2S/c1-3-4-5-10(11(14)15)13-7-9-6-12-8(2)16-9/h6,10,13H,3-5,7H2,1-2H3,(H,14,15).
What are the key properties of 2-[(2-methyl-1,3-thiazol-5-yl)methylamino]hexanoic acid?
2-[(2-methyl-1,3-thiazol-5-yl)methylamino]hexanoic acid has a molecular weight of 242.34 g/mol, XLogP of 2.18, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methyl-1,3-thiazol-5-yl)methylamino]hexanoic acid is sourced from PubChem (CID 103243285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).