6-[(2-tert-butyl-1,3-thiazole-4-carbonyl)amino]hexanoic acid

C14H22N2O3S — CID 119220220

IUPAC6-[(2-tert-butyl-1,3-thiazole-4-carbonyl)amino]hexanoic acid
SMILESCC(C)(C)c1nc(C(=O)NCCCCCC(=O)O)cs1
InChIInChI=1S/C14H22N2O3S/c1-14(2,3)13-16-10(9-20-13)12(19)15-8-6-4-5-7-11(17)18/h9H,4-8H2,1-3H3,(H,15,19)(H,17,18)
InChIKeyTWLMYSSVTPNRQZ-UHFFFAOYSA-N
MW298.41 g/mol
LogP2.82
Rot. Bonds7

About 6-[(2-tert-butyl-1,3-thiazole-4-carbonyl)amino]hexanoic acid

6-[(2-tert-butyl-1,3-thiazole-4-carbonyl)amino]hexanoic acid (PubChem CID 119220220) has the molecular formula C14H22N2O3S and a molecular weight of 298.41 g/mol. Its IUPAC name is 6-[(2-tert-butyl-1,3-thiazole-4-carbonyl)amino]hexanoic acid.

Molecular Properties

Compound Name6-[(2-tert-butyl-1,3-thiazole-4-carbonyl)amino]hexanoic acid
PubChem CID119220220
Molecular FormulaC14H22N2O3S
Molecular Weight298.41 g/mol
Exact Mass298.14
IUPAC Name6-[(2-tert-butyl-1,3-thiazole-4-carbonyl)amino]hexanoic acid
SMILESCC(C)(C)c1nc(C(=O)NCCCCCC(=O)O)cs1
InChIInChI=1S/C14H22N2O3S/c1-14(2,3)13-16-10(9-20-13)12(19)15-8-6-4-5-7-11(17)18/h9H,4-8H2,1-3H3,(H,15,19)(H,17,18)
InChIKeyTWLMYSSVTPNRQZ-UHFFFAOYSA-N
XLogP2.82
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 52.82
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

4-[(2-tert-butyl-1,3-thiazole-4-carbonyl)amino]butanoic acid
CID 119171014
7-[(2-methyl-1,3-thiazole-4-carbonyl)amino]heptanoic acid
CID 65199802
5-[(2-methyl-1,3-thiazole-4-carbonyl)amino]pentanoic acid
CID 65199563
5-[[2-(2-tert-butyl-1,3-thiazol-4-yl)acetyl]amino]pentanoic acid
CID 119235347
6-[[2-(methanesulfonamido)-1,3-thiazole-4-carbonyl]amino]hexanoic acid
CID 39182547
6-[(2-benzyl-1,3-thiazole-4-carbonyl)amino]hexanoic acid
CID 119220206
5-[[2-[(4-methylphenyl)methyl]-1,3-thiazole-4-carbonyl]amino]pentanoic acid
CID 120525274
6-[[2-(2-methylphenyl)-1,3-thiazole-4-carbonyl]amino]hexanoic acid
CID 119219951
5-[[2-(4-bromothiophen-2-yl)-1,3-thiazole-4-carbonyl]amino]pentanoic acid
CID 119235171
5-[[2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carbonyl]amino]pentanoic acid
CID 119234517
5-[[2-[(2-fluorophenyl)methyl]-1,3-thiazole-4-carbonyl]amino]pentanoic acid
CID 119235215
11-(1,3-thiazole-4-carbonylamino)undecanoic acid
CID 84556786

Frequently Asked Questions

What is the IUPAC name of 6-[(2-tert-butyl-1,3-thiazole-4-carbonyl)amino]hexanoic acid?
The IUPAC name of 6-[(2-tert-butyl-1,3-thiazole-4-carbonyl)amino]hexanoic acid (CID 119220220) is 6-[(2-tert-butyl-1,3-thiazole-4-carbonyl)amino]hexanoic acid.
What is the SMILES notation for 6-[(2-tert-butyl-1,3-thiazole-4-carbonyl)amino]hexanoic acid?
The canonical SMILES for 6-[(2-tert-butyl-1,3-thiazole-4-carbonyl)amino]hexanoic acid is CC(C)(C)c1nc(C(=O)NCCCCCC(=O)O)cs1.
What is the InChIKey of 6-[(2-tert-butyl-1,3-thiazole-4-carbonyl)amino]hexanoic acid?
The InChIKey is TWLMYSSVTPNRQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3S/c1-14(2,3)13-16-10(9-20-13)12(19)15-8-6-4-5-7-11(17)18/h9H,4-8H2,1-3H3,(H,15,19)(H,17,18).
What are the key properties of 6-[(2-tert-butyl-1,3-thiazole-4-carbonyl)amino]hexanoic acid?
6-[(2-tert-butyl-1,3-thiazole-4-carbonyl)amino]hexanoic acid has a molecular weight of 298.41 g/mol, XLogP of 2.82, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-tert-butyl-1,3-thiazole-4-carbonyl)amino]hexanoic acid is sourced from PubChem (CID 119220220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).