8-[(2-propan-2-yl-1,3-thiazole-5-carbonyl)amino]octanoic acid

C15H24N2O3S — CID 120535642

IUPAC8-[(2-propan-2-yl-1,3-thiazole-5-carbonyl)amino]octanoic acid
SMILESCC(C)c1ncc(C(=O)NCCCCCCCC(=O)O)s1
InChIInChI=1S/C15H24N2O3S/c1-11(2)15-17-10-12(21-15)14(20)16-9-7-5-3-4-6-8-13(18)19/h10-11H,3-9H2,1-2H3,(H,16,20)(H,18,19)
InChIKeyMUCAPNRMHAYRGM-UHFFFAOYSA-N
MW312.44 g/mol
LogP3.42
Rot. Bonds10

About 8-[(2-propan-2-yl-1,3-thiazole-5-carbonyl)amino]octanoic acid

8-[(2-propan-2-yl-1,3-thiazole-5-carbonyl)amino]octanoic acid (PubChem CID 120535642) has the molecular formula C15H24N2O3S and a molecular weight of 312.44 g/mol. Its IUPAC name is 8-[(2-propan-2-yl-1,3-thiazole-5-carbonyl)amino]octanoic acid.

Molecular Properties

Compound Name8-[(2-propan-2-yl-1,3-thiazole-5-carbonyl)amino]octanoic acid
PubChem CID120535642
Molecular FormulaC15H24N2O3S
Molecular Weight312.44 g/mol
Exact Mass312.15
IUPAC Name8-[(2-propan-2-yl-1,3-thiazole-5-carbonyl)amino]octanoic acid
SMILESCC(C)c1ncc(C(=O)NCCCCCCCC(=O)O)s1
InChIInChI=1S/C15H24N2O3S/c1-11(2)15-17-10-12(21-15)14(20)16-9-7-5-3-4-6-8-13(18)19/h10-11H,3-9H2,1-2H3,(H,16,20)(H,18,19)
InChIKeyMUCAPNRMHAYRGM-UHFFFAOYSA-N
XLogP3.42
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.44
LogP ≤ 53.42
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

6-[(2-phenyl-1,3-thiazole-5-carbonyl)amino]hexanoic acid
CID 119219821
6-[[2-(4-methoxyphenyl)-1,3-thiazole-5-carbonyl]amino]hexanoic acid
CID 119220256
7-[(1-methyl-3-propan-2-ylthieno[3,2-d]pyrazole-5-carbonyl)amino]heptanoic acid
CID 119227274
5-[1-(5-methyl-1,3-thiazol-2-yl)ethylamino]pentanoic acid
CID 103263524
6-[(5-ethylthiophene-2-carbonyl)amino]hexanoic acid
CID 43170039
7-[(3-propan-2-yl-1,2-oxazole-5-carbonyl)amino]heptanoic acid
CID 119227538
3-methyl-2-[(2-propan-2-yl-1,3-thiazole-5-carbonyl)amino]butanoic acid
CID 120513288
7-[(4-ethyl-5-methylthiophene-2-carbonyl)amino]heptanoic acid
CID 43092885
6-[(5-methyl-4-propylthiophene-2-carbonyl)amino]hexanoic acid
CID 43238441
7-[(2-methyl-1,3-thiazole-4-carbonyl)amino]heptanoic acid
CID 65199802
8-[(2-hydroxy-4-propan-2-ylbenzoyl)amino]octanoic acid
CID 44538835
6-[[3,5-bis(5-carboxypentylcarbamoyl)benzoyl]amino]hexanoic acid
CID 71378278

Frequently Asked Questions

What is the IUPAC name of 8-[(2-propan-2-yl-1,3-thiazole-5-carbonyl)amino]octanoic acid?
The IUPAC name of 8-[(2-propan-2-yl-1,3-thiazole-5-carbonyl)amino]octanoic acid (CID 120535642) is 8-[(2-propan-2-yl-1,3-thiazole-5-carbonyl)amino]octanoic acid.
What is the SMILES notation for 8-[(2-propan-2-yl-1,3-thiazole-5-carbonyl)amino]octanoic acid?
The canonical SMILES for 8-[(2-propan-2-yl-1,3-thiazole-5-carbonyl)amino]octanoic acid is CC(C)c1ncc(C(=O)NCCCCCCCC(=O)O)s1.
What is the InChIKey of 8-[(2-propan-2-yl-1,3-thiazole-5-carbonyl)amino]octanoic acid?
The InChIKey is MUCAPNRMHAYRGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3S/c1-11(2)15-17-10-12(21-15)14(20)16-9-7-5-3-4-6-8-13(18)19/h10-11H,3-9H2,1-2H3,(H,16,20)(H,18,19).
What are the key properties of 8-[(2-propan-2-yl-1,3-thiazole-5-carbonyl)amino]octanoic acid?
8-[(2-propan-2-yl-1,3-thiazole-5-carbonyl)amino]octanoic acid has a molecular weight of 312.44 g/mol, XLogP of 3.42, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(2-propan-2-yl-1,3-thiazole-5-carbonyl)amino]octanoic acid is sourced from PubChem (CID 120535642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).