11-(1,3-thiazole-4-carbonylamino)undecanoic acid

C15H24N2O3S — CID 84556786

IUPAC11-(1,3-thiazole-4-carbonylamino)undecanoic acid
SMILESO=C(O)CCCCCCCCCCNC(=O)c1cscn1
InChIInChI=1S/C15H24N2O3S/c18-14(19)9-7-5-3-1-2-4-6-8-10-16-15(20)13-11-21-12-17-13/h11-12H,1-10H2,(H,16,20)(H,18,19)
InChIKeyWKLYAUAAAUYWSA-UHFFFAOYSA-N
MW312.43 g/mol
LogP3.47
Rot. Bonds12

About 11-(1,3-thiazole-4-carbonylamino)undecanoic acid

11-(1,3-thiazole-4-carbonylamino)undecanoic acid (PubChem CID 84556786) has the molecular formula C15H24N2O3S and a molecular weight of 312.43 g/mol. Its IUPAC name is 11-(1,3-thiazole-4-carbonylamino)undecanoic acid.

Molecular Properties

Compound Name11-(1,3-thiazole-4-carbonylamino)undecanoic acid
PubChem CID84556786
Molecular FormulaC15H24N2O3S
Molecular Weight312.43 g/mol
Exact Mass312.15
IUPAC Name11-(1,3-thiazole-4-carbonylamino)undecanoic acid
SMILESO=C(O)CCCCCCCCCCNC(=O)c1cscn1
InChIInChI=1S/C15H24N2O3S/c18-14(19)9-7-5-3-1-2-4-6-8-10-16-15(20)13-11-21-12-17-13/h11-12H,1-10H2,(H,16,20)(H,18,19)
InChIKeyWKLYAUAAAUYWSA-UHFFFAOYSA-N
XLogP3.47
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.43
LogP ≤ 53.47
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

N-pentyl-1,3-thiazole-4-carboxamide
CID 62045475
N-(4-bromobutyl)-1,3-thiazole-4-carboxamide
CID 106845763
3-[2-(1,3-thiazole-4-carbonylamino)ethylsulfanyl]propanoic acid
CID 115731587
N-butyl-1,3-thiazole-4-carboxamide;ethane
CID 176555037
N-(3-acetamidopropyl)-1,3-thiazole-4-carboxamide
CID 84557796
6-(pyridine-2-carbonylamino)hexanoic acid
CID 16792895
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
N-[2-(dimethylamino)ethyl]-1,3-thiazole-4-carboxamide
CID 63038055
N-(3-amino-3-hydroxyiminopropyl)-1,3-thiazole-4-carboxamide
CID 76982242
6-[(2-tert-butyl-1,3-thiazole-4-carbonyl)amino]hexanoic acid
CID 119220220
N-(2-phenoxyethyl)-1,3-thiazole-4-carboxamide
CID 63049091

Frequently Asked Questions

What is the IUPAC name of 11-(1,3-thiazole-4-carbonylamino)undecanoic acid?
The IUPAC name of 11-(1,3-thiazole-4-carbonylamino)undecanoic acid (CID 84556786) is 11-(1,3-thiazole-4-carbonylamino)undecanoic acid.
What is the SMILES notation for 11-(1,3-thiazole-4-carbonylamino)undecanoic acid?
The canonical SMILES for 11-(1,3-thiazole-4-carbonylamino)undecanoic acid is O=C(O)CCCCCCCCCCNC(=O)c1cscn1.
What is the InChIKey of 11-(1,3-thiazole-4-carbonylamino)undecanoic acid?
The InChIKey is WKLYAUAAAUYWSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3S/c18-14(19)9-7-5-3-1-2-4-6-8-10-16-15(20)13-11-21-12-17-13/h11-12H,1-10H2,(H,16,20)(H,18,19).
What are the key properties of 11-(1,3-thiazole-4-carbonylamino)undecanoic acid?
11-(1,3-thiazole-4-carbonylamino)undecanoic acid has a molecular weight of 312.43 g/mol, XLogP of 3.47, 12 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 11-(1,3-thiazole-4-carbonylamino)undecanoic acid is sourced from PubChem (CID 84556786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).