2-[(2-methyl-1,3-thiazole-5-carbonyl)amino]hexanoic acid

C11H16N2O3S — CID 104543694

IUPAC2-[(2-methyl-1,3-thiazole-5-carbonyl)amino]hexanoic acid
SMILESCCCCC(NC(=O)c1cnc(C)s1)C(=O)O
InChIInChI=1S/C11H16N2O3S/c1-3-4-5-8(11(15)16)13-10(14)9-6-12-7(2)17-9/h6,8H,3-5H2,1-2H3,(H,13,14)(H,15,16)
InChIKeyAYRDALPNFZALFF-UHFFFAOYSA-N
MW256.33 g/mol
LogP1.82
Rot. Bonds6

About 2-[(2-methyl-1,3-thiazole-5-carbonyl)amino]hexanoic acid

2-[(2-methyl-1,3-thiazole-5-carbonyl)amino]hexanoic acid (PubChem CID 104543694) has the molecular formula C11H16N2O3S and a molecular weight of 256.33 g/mol. Its IUPAC name is 2-[(2-methyl-1,3-thiazole-5-carbonyl)amino]hexanoic acid.

Molecular Properties

Compound Name2-[(2-methyl-1,3-thiazole-5-carbonyl)amino]hexanoic acid
PubChem CID104543694
Molecular FormulaC11H16N2O3S
Molecular Weight256.33 g/mol
Exact Mass256.09
IUPAC Name2-[(2-methyl-1,3-thiazole-5-carbonyl)amino]hexanoic acid
SMILESCCCCC(NC(=O)c1cnc(C)s1)C(=O)O
InChIInChI=1S/C11H16N2O3S/c1-3-4-5-8(11(15)16)13-10(14)9-6-12-7(2)17-9/h6,8H,3-5H2,1-2H3,(H,13,14)(H,15,16)
InChIKeyAYRDALPNFZALFF-UHFFFAOYSA-N
XLogP1.82
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.33
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2S)-1-amino-1-oxopentan-2-yl]-2-methyl-1,3-thiazole-5-carboxamide
CID 154832931
(2S)-2-[[2-(1-ethoxyethyl)-1,3-thiazole-5-carbonyl]amino]hexanoic acid
CID 120614601
(2S)-2-[(5-methylthiophene-2-carbonyl)amino]hexanoic acid
CID 93031784
2-[(2-methyl-1,3-thiazol-5-yl)methylamino]hexanoic acid
CID 103243285
2-[(5-ethylthiophene-2-carbonyl)amino]hexanoic acid
CID 43469771
2-(pyrazine-2-carbonylamino)hexanoic acid
CID 43388148
2-(2H-triazole-4-carbonylamino)hexanoic acid
CID 63283324
(2S)-2-(1-benzothiophene-2-carbonylamino)hexanoic acid
CID 107144524
2-[(3,4,5-trichloropyridine-2-carbonyl)amino]hexanoic acid
CID 43387014
(2R)-4-methyl-2-[(2-propyl-1,3-thiazole-5-carbonyl)amino]pentanoic acid
CID 119363034
(2S)-2-[(4-methyl-1,3-thiazole-5-carbonyl)amino]heptanoic acid
CID 97337438
(2S)-2-[(3-methylthiophene-2-carbonyl)amino]hexanoic acid
CID 93031782

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methyl-1,3-thiazole-5-carbonyl)amino]hexanoic acid?
The IUPAC name of 2-[(2-methyl-1,3-thiazole-5-carbonyl)amino]hexanoic acid (CID 104543694) is 2-[(2-methyl-1,3-thiazole-5-carbonyl)amino]hexanoic acid.
What is the SMILES notation for 2-[(2-methyl-1,3-thiazole-5-carbonyl)amino]hexanoic acid?
The canonical SMILES for 2-[(2-methyl-1,3-thiazole-5-carbonyl)amino]hexanoic acid is CCCCC(NC(=O)c1cnc(C)s1)C(=O)O.
What is the InChIKey of 2-[(2-methyl-1,3-thiazole-5-carbonyl)amino]hexanoic acid?
The InChIKey is AYRDALPNFZALFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3S/c1-3-4-5-8(11(15)16)13-10(14)9-6-12-7(2)17-9/h6,8H,3-5H2,1-2H3,(H,13,14)(H,15,16).
What are the key properties of 2-[(2-methyl-1,3-thiazole-5-carbonyl)amino]hexanoic acid?
2-[(2-methyl-1,3-thiazole-5-carbonyl)amino]hexanoic acid has a molecular weight of 256.33 g/mol, XLogP of 1.82, 6 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-thiazole-5-carbonyl)amino]hexanoic acid is sourced from PubChem (CID 104543694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).