2-(4,5-dipentyl-1,3-thiazol-2-yl)acetic acid

C15H25NO2S — CID 70616107

IUPAC2-(4,5-dipentyl-1,3-thiazol-2-yl)acetic acid
SMILESCCCCCc1nc(CC(=O)O)sc1CCCCC
InChIInChI=1S/C15H25NO2S/c1-3-5-7-9-12-13(10-8-6-4-2)19-14(16-12)11-15(17)18/h3-11H2,1-2H3,(H,17,18)
InChIKeyLMIRMMWSQZONGX-UHFFFAOYSA-N
MW283.44 g/mol
LogP4.24
Rot. Bonds10

About 2-(4,5-dipentyl-1,3-thiazol-2-yl)acetic acid

2-(4,5-dipentyl-1,3-thiazol-2-yl)acetic acid (PubChem CID 70616107) has the molecular formula C15H25NO2S and a molecular weight of 283.44 g/mol. Its IUPAC name is 2-(4,5-dipentyl-1,3-thiazol-2-yl)acetic acid.

Molecular Properties

Compound Name2-(4,5-dipentyl-1,3-thiazol-2-yl)acetic acid
PubChem CID70616107
Molecular FormulaC15H25NO2S
Molecular Weight283.44 g/mol
Exact Mass283.16
IUPAC Name2-(4,5-dipentyl-1,3-thiazol-2-yl)acetic acid
SMILESCCCCCc1nc(CC(=O)O)sc1CCCCC
InChIInChI=1S/C15H25NO2S/c1-3-5-7-9-12-13(10-8-6-4-2)19-14(16-12)11-15(17)18/h3-11H2,1-2H3,(H,17,18)
InChIKeyLMIRMMWSQZONGX-UHFFFAOYSA-N
XLogP4.24
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.44
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(5-hexadecyl-2-methyl-1,3-thiazol-4-yl)acetic acid
CID 102100077
2-(2,4-dipropyl-1,3-thiazol-5-yl)acetic acid
CID 82431548
2-(4-methyl-2-pentyl-1,3-thiazol-5-yl)acetic acid
CID 82054967
2-[2-(diethylaminomethyl)-4-propyl-1,3-thiazol-5-yl]acetic acid
CID 82432920
2,4-dihexyl-1,3-thiazole-5-carboxylic acid
CID 19885477
2-[5-[(dipropylamino)methyl]-2-ethyl-1,3-thiazol-4-yl]acetic acid
CID 82069200
2-[2-(2-methoxyethyl)-4-propyl-1,3-thiazol-5-yl]acetic acid
CID 82431442
2-[5-(diethylaminomethyl)-2-ethyl-1,3-thiazol-4-yl]acetic acid
CID 82069250
2-(5-hexyl-1,3-thiazol-2-yl)acetic acid
CID 3681414
3-[2-(propan-2-ylsulfanylmethyl)-4-propyl-1,3-thiazol-5-yl]propanoic acid
CID 82432135
2-[2-[2-[butyl(methyl)amino]-2-oxoethyl]-4-methyl-1,3-thiazol-5-yl]acetic acid
CID 82155056
2-bromo-5-pentyl-1,3-thiazole-4-carboxylic acid
CID 68515406

Frequently Asked Questions

What is the IUPAC name of 2-(4,5-dipentyl-1,3-thiazol-2-yl)acetic acid?
The IUPAC name of 2-(4,5-dipentyl-1,3-thiazol-2-yl)acetic acid (CID 70616107) is 2-(4,5-dipentyl-1,3-thiazol-2-yl)acetic acid.
What is the SMILES notation for 2-(4,5-dipentyl-1,3-thiazol-2-yl)acetic acid?
The canonical SMILES for 2-(4,5-dipentyl-1,3-thiazol-2-yl)acetic acid is CCCCCc1nc(CC(=O)O)sc1CCCCC.
What is the InChIKey of 2-(4,5-dipentyl-1,3-thiazol-2-yl)acetic acid?
The InChIKey is LMIRMMWSQZONGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2S/c1-3-5-7-9-12-13(10-8-6-4-2)19-14(16-12)11-15(17)18/h3-11H2,1-2H3,(H,17,18).
What are the key properties of 2-(4,5-dipentyl-1,3-thiazol-2-yl)acetic acid?
2-(4,5-dipentyl-1,3-thiazol-2-yl)acetic acid has a molecular weight of 283.44 g/mol, XLogP of 4.24, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,5-dipentyl-1,3-thiazol-2-yl)acetic acid is sourced from PubChem (CID 70616107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).