6-[(2-phenyl-1,3-thiazole-5-carbonyl)amino]hexanoic acid

C16H18N2O3S — CID 119219821

IUPAC6-[(2-phenyl-1,3-thiazole-5-carbonyl)amino]hexanoic acid
SMILESO=C(O)CCCCCNC(=O)c1cnc(-c2ccccc2)s1
InChIInChI=1S/C16H18N2O3S/c19-14(20)9-5-2-6-10-17-15(21)13-11-18-16(22-13)12-7-3-1-4-8-12/h1,3-4,7-8,11H,2,5-6,9-10H2,(H,17,21)(H,19,20)
InChIKeyQBBAAPFLXSRKJC-UHFFFAOYSA-N
MW318.40 g/mol
LogP3.18
Rot. Bonds8

About 6-[(2-phenyl-1,3-thiazole-5-carbonyl)amino]hexanoic acid

6-[(2-phenyl-1,3-thiazole-5-carbonyl)amino]hexanoic acid (PubChem CID 119219821) has the molecular formula C16H18N2O3S and a molecular weight of 318.40 g/mol. Its IUPAC name is 6-[(2-phenyl-1,3-thiazole-5-carbonyl)amino]hexanoic acid.

Molecular Properties

Compound Name6-[(2-phenyl-1,3-thiazole-5-carbonyl)amino]hexanoic acid
PubChem CID119219821
Molecular FormulaC16H18N2O3S
Molecular Weight318.40 g/mol
Exact Mass318.10
IUPAC Name6-[(2-phenyl-1,3-thiazole-5-carbonyl)amino]hexanoic acid
SMILESO=C(O)CCCCCNC(=O)c1cnc(-c2ccccc2)s1
InChIInChI=1S/C16H18N2O3S/c19-14(20)9-5-2-6-10-17-15(21)13-11-18-16(22-13)12-7-3-1-4-8-12/h1,3-4,7-8,11H,2,5-6,9-10H2,(H,17,21)(H,19,20)
InChIKeyQBBAAPFLXSRKJC-UHFFFAOYSA-N
XLogP3.18
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.40
LogP ≤ 53.18
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-(4-methoxyphenyl)-1,3-thiazole-5-carbonyl]amino]hexanoic acid
CID 119220256
N-[2-(ethylamino)ethyl]-2-phenyl-1,3-thiazole-5-carboxamide;dihydrochloride
CID 119509156
N-(3-aminobutyl)-2-phenyl-1,3-thiazole-5-carboxamide
CID 119499312
N-[3-[2-methoxyethyl(methyl)amino]propyl]-2-phenyl-1,3-thiazole-5-carboxamide
CID 86991474
8-[(2-propan-2-yl-1,3-thiazole-5-carbonyl)amino]octanoic acid
CID 120535642
4-[methyl-(2-phenyl-1,3-thiazole-5-carbonyl)amino]butanoic acid
CID 119172820
3-[2-[(2-pyridin-3-yl-1,3-thiazole-5-carbonyl)amino]ethyldisulfanyl]propanoic acid
CID 167987437
2-(3,5-difluorophenyl)-N-[7-(hydroxyamino)-7-oxoheptyl]-1,3-thiazole-5-carboxamide
CID 166627873
N-(2-amino-2-ethylbutyl)-2-phenyl-1,3-thiazole-5-carboxamide
CID 119643597
6-(pyridine-2-carbonylamino)hexanoic acid
CID 16792895
5-(1-benzothiophene-2-carbonylamino)pentanoic acid
CID 62033392
N-[2-(ethylamino)ethyl]-2-pyridin-4-yl-1,3-thiazole-5-carboxamide
CID 119505049

Frequently Asked Questions

What is the IUPAC name of 6-[(2-phenyl-1,3-thiazole-5-carbonyl)amino]hexanoic acid?
The IUPAC name of 6-[(2-phenyl-1,3-thiazole-5-carbonyl)amino]hexanoic acid (CID 119219821) is 6-[(2-phenyl-1,3-thiazole-5-carbonyl)amino]hexanoic acid.
What is the SMILES notation for 6-[(2-phenyl-1,3-thiazole-5-carbonyl)amino]hexanoic acid?
The canonical SMILES for 6-[(2-phenyl-1,3-thiazole-5-carbonyl)amino]hexanoic acid is O=C(O)CCCCCNC(=O)c1cnc(-c2ccccc2)s1.
What is the InChIKey of 6-[(2-phenyl-1,3-thiazole-5-carbonyl)amino]hexanoic acid?
The InChIKey is QBBAAPFLXSRKJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3S/c19-14(20)9-5-2-6-10-17-15(21)13-11-18-16(22-13)12-7-3-1-4-8-12/h1,3-4,7-8,11H,2,5-6,9-10H2,(H,17,21)(H,19,20).
What are the key properties of 6-[(2-phenyl-1,3-thiazole-5-carbonyl)amino]hexanoic acid?
6-[(2-phenyl-1,3-thiazole-5-carbonyl)amino]hexanoic acid has a molecular weight of 318.40 g/mol, XLogP of 3.18, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-phenyl-1,3-thiazole-5-carbonyl)amino]hexanoic acid is sourced from PubChem (CID 119219821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).