2-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]hexanoic acid

C12H18N2O4S — CID 43469777

IUPAC2-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]hexanoic acid
SMILESCCCCC(NC(=O)Cn1c(C)csc1=O)C(=O)O
InChIInChI=1S/C12H18N2O4S/c1-3-4-5-9(11(16)17)13-10(15)6-14-8(2)7-19-12(14)18/h7,9H,3-6H2,1-2H3,(H,13,15)(H,16,17)
InChIKeyAAGBHTCSMWGRTF-UHFFFAOYSA-N
MW286.35 g/mol
LogP0.98
Rot. Bonds7

About 2-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]hexanoic acid

2-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]hexanoic acid (PubChem CID 43469777) has the molecular formula C12H18N2O4S and a molecular weight of 286.35 g/mol. Its IUPAC name is 2-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]hexanoic acid.

Molecular Properties

Compound Name2-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]hexanoic acid
PubChem CID43469777
Molecular FormulaC12H18N2O4S
Molecular Weight286.35 g/mol
Exact Mass286.10
IUPAC Name2-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]hexanoic acid
SMILESCCCCC(NC(=O)Cn1c(C)csc1=O)C(=O)O
InChIInChI=1S/C12H18N2O4S/c1-3-4-5-9(11(16)17)13-10(15)6-14-8(2)7-19-12(14)18/h7,9H,3-6H2,1-2H3,(H,13,15)(H,16,17)
InChIKeyAAGBHTCSMWGRTF-UHFFFAOYSA-N
XLogP0.98
TPSA88.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.35
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]hexanoic acid with MolForge

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Related Compounds

(2S)-2-amino-6-[[(2R)-3-[[(1R)-1-carboxy-2-methylpropyl]amino]-1-sulfanylbut-3-en-2-yl]amino]-6-oxohexanoic acid
CID 44351663
2-[[2-[[2-[(2-Acetylsulfanylacetyl)amino]acetyl]amino]acetyl]amino]hexanoic acid
CID 88247282
6-amino-2-[[2-[(2-aminoacetyl)amino]acetyl]amino]hexanoic acid;N-[(Z)-1-(methylamino)prop-1-en-2-yl]methanethioamide
CID 166091250
Methyl 6-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]hexanoate
CID 31840141
4-Methyl-2-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]pentanoic acid
CID 43170166
1-[2-(4-Methyl-2-oxo-1,3-thiazol-3-yl)acetyl]piperidine-2-carboxylic acid
CID 43171077
3-Methyl-2-[4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanoylamino]pentanoic acid
CID 43171222
5-Amino-2-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]-5-oxopentanoic acid
CID 43171960
7-[[2-(4-Methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]heptanoic acid
CID 43172060
1-[[2-(4-Methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]cyclohexane-1-carboxylic acid
CID 43245285
1-[4-(4-Methyl-2-oxo-1,3-thiazol-3-yl)butanoylamino]cyclopentane-1-carboxylic acid
CID 43351049
1-[[2-(4-Methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]cyclopentane-1-carboxylic acid
CID 43351066

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]hexanoic acid?
The IUPAC name of 2-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]hexanoic acid (CID 43469777) is 2-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]hexanoic acid.
What is the SMILES notation for 2-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]hexanoic acid?
The canonical SMILES for 2-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]hexanoic acid is CCCCC(NC(=O)Cn1c(C)csc1=O)C(=O)O.
What is the InChIKey of 2-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]hexanoic acid?
The InChIKey is AAGBHTCSMWGRTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O4S/c1-3-4-5-9(11(16)17)13-10(15)6-14-8(2)7-19-12(14)18/h7,9H,3-6H2,1-2H3,(H,13,15)(H,16,17).
What are the key properties of 2-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]hexanoic acid?
2-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]hexanoic acid has a molecular weight of 286.35 g/mol, XLogP of 0.98, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]hexanoic acid is sourced from PubChem (CID 43469777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).