4-[1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethylamino]butanoic acid

C14H24N2O2S — CID 60782840

IUPAC4-[1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethylamino]butanoic acid
SMILESCc1nc(C(C)(C)C)sc1C(C)NCCCC(=O)O
InChIInChI=1S/C14H24N2O2S/c1-9(15-8-6-7-11(17)18)12-10(2)16-13(19-12)14(3,4)5/h9,15H,6-8H2,1-5H3,(H,17,18)
InChIKeyCGFOYASRKPYFDF-UHFFFAOYSA-N
MW284.43 g/mol
LogP3.26
Rot. Bonds6

About 4-[1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethylamino]butanoic acid

4-[1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethylamino]butanoic acid (PubChem CID 60782840) has the molecular formula C14H24N2O2S and a molecular weight of 284.43 g/mol. Its IUPAC name is 4-[1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethylamino]butanoic acid.

Molecular Properties

Compound Name4-[1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethylamino]butanoic acid
PubChem CID60782840
Molecular FormulaC14H24N2O2S
Molecular Weight284.43 g/mol
Exact Mass284.16
IUPAC Name4-[1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethylamino]butanoic acid
SMILESCc1nc(C(C)(C)C)sc1C(C)NCCCC(=O)O
InChIInChI=1S/C14H24N2O2S/c1-9(15-8-6-7-11(17)18)12-10(2)16-13(19-12)14(3,4)5/h9,15H,6-8H2,1-5H3,(H,17,18)
InChIKeyCGFOYASRKPYFDF-UHFFFAOYSA-N
XLogP3.26
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.43
LogP ≤ 53.26
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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Frequently Asked Questions

What is the IUPAC name of 4-[1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethylamino]butanoic acid?
The IUPAC name of 4-[1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethylamino]butanoic acid (CID 60782840) is 4-[1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethylamino]butanoic acid.
What is the SMILES notation for 4-[1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethylamino]butanoic acid?
The canonical SMILES for 4-[1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethylamino]butanoic acid is Cc1nc(C(C)(C)C)sc1C(C)NCCCC(=O)O.
What is the InChIKey of 4-[1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethylamino]butanoic acid?
The InChIKey is CGFOYASRKPYFDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2S/c1-9(15-8-6-7-11(17)18)12-10(2)16-13(19-12)14(3,4)5/h9,15H,6-8H2,1-5H3,(H,17,18).
What are the key properties of 4-[1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethylamino]butanoic acid?
4-[1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethylamino]butanoic acid has a molecular weight of 284.43 g/mol, XLogP of 3.26, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethylamino]butanoic acid is sourced from PubChem (CID 60782840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).