6-[(4-bromo-1,3-thiazol-2-yl)amino]hexanoic acid

C9H13BrN2O2S — CID 79400565

IUPAC6-[(4-bromo-1,3-thiazol-2-yl)amino]hexanoic acid
SMILESO=C(O)CCCCCNc1nc(Br)cs1
InChIInChI=1S/C9H13BrN2O2S/c10-7-6-15-9(12-7)11-5-3-1-2-4-8(13)14/h6H,1-5H2,(H,11,12)(H,13,14)
InChIKeyAMZUARZDMOYWBP-UHFFFAOYSA-N
MW293.19 g/mol
LogP2.96
Rot. Bonds7

About 6-[(4-bromo-1,3-thiazol-2-yl)amino]hexanoic acid

6-[(4-bromo-1,3-thiazol-2-yl)amino]hexanoic acid (PubChem CID 79400565) has the molecular formula C9H13BrN2O2S and a molecular weight of 293.19 g/mol. Its IUPAC name is 6-[(4-bromo-1,3-thiazol-2-yl)amino]hexanoic acid.

Molecular Properties

Compound Name6-[(4-bromo-1,3-thiazol-2-yl)amino]hexanoic acid
PubChem CID79400565
Molecular FormulaC9H13BrN2O2S
Molecular Weight293.19 g/mol
Exact Mass291.99
IUPAC Name6-[(4-bromo-1,3-thiazol-2-yl)amino]hexanoic acid
SMILESO=C(O)CCCCCNc1nc(Br)cs1
InChIInChI=1S/C9H13BrN2O2S/c10-7-6-15-9(12-7)11-5-3-1-2-4-8(13)14/h6H,1-5H2,(H,11,12)(H,13,14)
InChIKeyAMZUARZDMOYWBP-UHFFFAOYSA-N
XLogP2.96
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.19
LogP ≤ 52.96
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-bromo-N-octyl-1,3-thiazol-2-amine
CID 115568968
3-[(4-bromo-1,3-thiazol-2-yl)amino]propan-1-ol
CID 79399606
4-bromo-N-(3-phenoxypropyl)-1,3-thiazol-2-amine
CID 79400626
3-[2-[(4-amino-4-oxobutyl)amino]-1,3-thiazol-4-yl]propanoic acid
CID 103486432
2-(pentylamino)-1,3-thiazole-4-carboxamide
CID 69456979
3-[2-[(4-bromo-1,3-thiazol-2-yl)amino]ethyl]benzoic acid
CID 79399210
6-[[2-(methanesulfonamido)-1,3-thiazole-4-carbonyl]amino]hexanoic acid
CID 39182547
6-[(2-tert-butyl-1,3-thiazole-4-carbonyl)amino]hexanoic acid
CID 119220220
2-[2-(pentylamino)-1,3-thiazol-4-yl]acetic acid
CID 80575582
7-[(2-methyl-1,3-thiazole-4-carbonyl)amino]heptanoic acid
CID 65199802
5-[[2-(4-bromothiophen-2-yl)-1,3-thiazole-4-carbonyl]amino]pentanoic acid
CID 119235171
3-(4-bromo-1,3-thiazol-2-yl)propanoic acid
CID 83692808

Frequently Asked Questions

What is the IUPAC name of 6-[(4-bromo-1,3-thiazol-2-yl)amino]hexanoic acid?
The IUPAC name of 6-[(4-bromo-1,3-thiazol-2-yl)amino]hexanoic acid (CID 79400565) is 6-[(4-bromo-1,3-thiazol-2-yl)amino]hexanoic acid.
What is the SMILES notation for 6-[(4-bromo-1,3-thiazol-2-yl)amino]hexanoic acid?
The canonical SMILES for 6-[(4-bromo-1,3-thiazol-2-yl)amino]hexanoic acid is O=C(O)CCCCCNc1nc(Br)cs1.
What is the InChIKey of 6-[(4-bromo-1,3-thiazol-2-yl)amino]hexanoic acid?
The InChIKey is AMZUARZDMOYWBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13BrN2O2S/c10-7-6-15-9(12-7)11-5-3-1-2-4-8(13)14/h6H,1-5H2,(H,11,12)(H,13,14).
What are the key properties of 6-[(4-bromo-1,3-thiazol-2-yl)amino]hexanoic acid?
6-[(4-bromo-1,3-thiazol-2-yl)amino]hexanoic acid has a molecular weight of 293.19 g/mol, XLogP of 2.96, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-bromo-1,3-thiazol-2-yl)amino]hexanoic acid is sourced from PubChem (CID 79400565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).