decan-1-amine;1,3-thiazole-5-carboxylic acid

C14H26N2O2S — CID 161100168

IUPACdecan-1-amine;1,3-thiazole-5-carboxylic acid
SMILESCCCCCCCCCCN.O=C(O)c1cncs1
InChIInChI=1S/C10H23N.C4H3NO2S/c1-2-3-4-5-6-7-8-9-10-11;6-4(7)3-1-5-2-8-3/h2-11H2,1H3;1-2H,(H,6,7)
InChIKeyUIHVUPXIKYAXOI-UHFFFAOYSA-N
MW286.44 g/mol
LogP3.93
Rot. Bonds9

About decan-1-amine;1,3-thiazole-5-carboxylic acid

decan-1-amine;1,3-thiazole-5-carboxylic acid (PubChem CID 161100168) has the molecular formula C14H26N2O2S and a molecular weight of 286.44 g/mol. Its IUPAC name is decan-1-amine;1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Namedecan-1-amine;1,3-thiazole-5-carboxylic acid
PubChem CID161100168
Molecular FormulaC14H26N2O2S
Molecular Weight286.44 g/mol
Exact Mass286.17
IUPAC Namedecan-1-amine;1,3-thiazole-5-carboxylic acid
SMILESCCCCCCCCCCN.O=C(O)c1cncs1
InChIInChI=1S/C10H23N.C4H3NO2S/c1-2-3-4-5-6-7-8-9-10-11;6-4(7)3-1-5-2-8-3/h2-11H2,1H3;1-2H,(H,6,7)
InChIKeyUIHVUPXIKYAXOI-UHFFFAOYSA-N
XLogP3.93
TPSA76.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.44
LogP ≤ 53.93
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

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octan-1-amine;propanoic acid
CID 87949597
hexadecan-1-amine;propan-2-one
CID 175396285
benzene;octadecan-1-amine
CID 175562752
N-(5-octyl-1,3,4-thiadiazol-2-yl)-1,3-thiazole-5-carboxamide
CID 166191053
acetamide;decan-1-amine
CID 160911015
octadecanoic acid;pentadecan-1-amine
CID 174740594
nonan-1-amine;octanoic acid
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Frequently Asked Questions

What is the IUPAC name of decan-1-amine;1,3-thiazole-5-carboxylic acid?
The IUPAC name of decan-1-amine;1,3-thiazole-5-carboxylic acid (CID 161100168) is decan-1-amine;1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for decan-1-amine;1,3-thiazole-5-carboxylic acid?
The canonical SMILES for decan-1-amine;1,3-thiazole-5-carboxylic acid is CCCCCCCCCCN.O=C(O)c1cncs1.
What is the InChIKey of decan-1-amine;1,3-thiazole-5-carboxylic acid?
The InChIKey is UIHVUPXIKYAXOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23N.C4H3NO2S/c1-2-3-4-5-6-7-8-9-10-11;6-4(7)3-1-5-2-8-3/h2-11H2,1H3;1-2H,(H,6,7).
What are the key properties of decan-1-amine;1,3-thiazole-5-carboxylic acid?
decan-1-amine;1,3-thiazole-5-carboxylic acid has a molecular weight of 286.44 g/mol, XLogP of 3.93, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for decan-1-amine;1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 161100168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).