8-[(3-methyl-1,2-thiazole-4-carbonyl)amino]octanoic acid

C13H20N2O3S — CID 120535597

IUPAC8-[(3-methyl-1,2-thiazole-4-carbonyl)amino]octanoic acid
SMILESCc1nscc1C(=O)NCCCCCCCC(=O)O
InChIInChI=1S/C13H20N2O3S/c1-10-11(9-19-15-10)13(18)14-8-6-4-2-3-5-7-12(16)17/h9H,2-8H2,1H3,(H,14,18)(H,16,17)
InChIKeyQXDBXKXGOFQFCA-UHFFFAOYSA-N
MW284.38 g/mol
LogP2.61
Rot. Bonds9

About 8-[(3-methyl-1,2-thiazole-4-carbonyl)amino]octanoic acid

8-[(3-methyl-1,2-thiazole-4-carbonyl)amino]octanoic acid (PubChem CID 120535597) has the molecular formula C13H20N2O3S and a molecular weight of 284.38 g/mol. Its IUPAC name is 8-[(3-methyl-1,2-thiazole-4-carbonyl)amino]octanoic acid.

Molecular Properties

Compound Name8-[(3-methyl-1,2-thiazole-4-carbonyl)amino]octanoic acid
PubChem CID120535597
Molecular FormulaC13H20N2O3S
Molecular Weight284.38 g/mol
Exact Mass284.12
IUPAC Name8-[(3-methyl-1,2-thiazole-4-carbonyl)amino]octanoic acid
SMILESCc1nscc1C(=O)NCCCCCCCC(=O)O
InChIInChI=1S/C13H20N2O3S/c1-10-11(9-19-15-10)13(18)14-8-6-4-2-3-5-7-12(16)17/h9H,2-8H2,1H3,(H,14,18)(H,16,17)
InChIKeyQXDBXKXGOFQFCA-UHFFFAOYSA-N
XLogP2.61
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

7-[(2-methyl-1,3-thiazole-4-carbonyl)amino]heptanoic acid
CID 65199802
5-[(1,3-dimethylpyrazole-4-carbonyl)amino]pentanoic acid
CID 103790923
12-[(2-methylbenzoyl)amino]dodecanoic acid
CID 10759093
5-[(2-methyl-1,3-thiazole-4-carbonyl)amino]pentanoic acid
CID 65199563
7-[(5-fluoro-2-methylbenzoyl)amino]heptanoic acid
CID 62034426
7-[(4-methylbenzoyl)amino]heptanoic acid
CID 24695278
6-[[3,5-bis(5-carboxypentylcarbamoyl)benzoyl]amino]hexanoic acid
CID 71378278
11-(1,3-thiazole-4-carbonylamino)undecanoic acid
CID 84556786
6-(naphthalene-1-carbonylamino)hexanoic acid
CID 14196780
7-[(2-methoxy-6-methylpyridine-3-carbonyl)amino]heptanoic acid
CID 120523997
7-[(2-chloro-4-methylbenzoyl)amino]heptanoic acid
CID 106860475
7-[(2,4,6-trimethylbenzoyl)amino]heptanoic acid
CID 24695626

Frequently Asked Questions

What is the IUPAC name of 8-[(3-methyl-1,2-thiazole-4-carbonyl)amino]octanoic acid?
The IUPAC name of 8-[(3-methyl-1,2-thiazole-4-carbonyl)amino]octanoic acid (CID 120535597) is 8-[(3-methyl-1,2-thiazole-4-carbonyl)amino]octanoic acid.
What is the SMILES notation for 8-[(3-methyl-1,2-thiazole-4-carbonyl)amino]octanoic acid?
The canonical SMILES for 8-[(3-methyl-1,2-thiazole-4-carbonyl)amino]octanoic acid is Cc1nscc1C(=O)NCCCCCCCC(=O)O.
What is the InChIKey of 8-[(3-methyl-1,2-thiazole-4-carbonyl)amino]octanoic acid?
The InChIKey is QXDBXKXGOFQFCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3S/c1-10-11(9-19-15-10)13(18)14-8-6-4-2-3-5-7-12(16)17/h9H,2-8H2,1H3,(H,14,18)(H,16,17).
What are the key properties of 8-[(3-methyl-1,2-thiazole-4-carbonyl)amino]octanoic acid?
8-[(3-methyl-1,2-thiazole-4-carbonyl)amino]octanoic acid has a molecular weight of 284.38 g/mol, XLogP of 2.61, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(3-methyl-1,2-thiazole-4-carbonyl)amino]octanoic acid is sourced from PubChem (CID 120535597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).