N-[(2E)-3,7-dimethylocta-2,6-dienyl]-1,3-thiazole-5-carboxamide

C14H20N2OS — CID 118769675

IUPACN-[(2E)-3,7-dimethylocta-2,6-dienyl]-1,3-thiazole-5-carboxamide
SMILESCC(C)=CCC/C(C)=C/CNC(=O)c1cncs1
InChIInChI=1S/C14H20N2OS/c1-11(2)5-4-6-12(3)7-8-16-14(17)13-9-15-10-18-13/h5,7,9-10H,4,6,8H2,1-3H3,(H,16,17)/b12-7+
InChIKeyBWQLSELJVBWHQC-KPKJPENVSA-N
MW264.39 g/mol
LogP3.57
Rot. Bonds6

About N-[(2E)-3,7-dimethylocta-2,6-dienyl]-1,3-thiazole-5-carboxamide

N-[(2E)-3,7-dimethylocta-2,6-dienyl]-1,3-thiazole-5-carboxamide (PubChem CID 118769675) has the molecular formula C14H20N2OS and a molecular weight of 264.39 g/mol. Its IUPAC name is N-[(2E)-3,7-dimethylocta-2,6-dienyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[(2E)-3,7-dimethylocta-2,6-dienyl]-1,3-thiazole-5-carboxamide
PubChem CID118769675
Molecular FormulaC14H20N2OS
Molecular Weight264.39 g/mol
Exact Mass264.13
IUPAC NameN-[(2E)-3,7-dimethylocta-2,6-dienyl]-1,3-thiazole-5-carboxamide
SMILESCC(C)=CCC/C(C)=C/CNC(=O)c1cncs1
InChIInChI=1S/C14H20N2OS/c1-11(2)5-4-6-12(3)7-8-16-14(17)13-9-15-10-18-13/h5,7,9-10H,4,6,8H2,1-3H3,(H,16,17)/b12-7+
InChIKeyBWQLSELJVBWHQC-KPKJPENVSA-N
XLogP3.57
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.39
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(2E)-3,7-dimethylocta-2,6-dienyl]-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[(2E)-3,7-dimethylocta-2,6-dienyl]-1,3-thiazole-5-carboxamide (CID 118769675) is N-[(2E)-3,7-dimethylocta-2,6-dienyl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[(2E)-3,7-dimethylocta-2,6-dienyl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[(2E)-3,7-dimethylocta-2,6-dienyl]-1,3-thiazole-5-carboxamide is CC(C)=CCC/C(C)=C/CNC(=O)c1cncs1.
What is the InChIKey of N-[(2E)-3,7-dimethylocta-2,6-dienyl]-1,3-thiazole-5-carboxamide?
The InChIKey is BWQLSELJVBWHQC-KPKJPENVSA-N. The full InChI is InChI=1S/C14H20N2OS/c1-11(2)5-4-6-12(3)7-8-16-14(17)13-9-15-10-18-13/h5,7,9-10H,4,6,8H2,1-3H3,(H,16,17)/b12-7+.
What are the key properties of N-[(2E)-3,7-dimethylocta-2,6-dienyl]-1,3-thiazole-5-carboxamide?
N-[(2E)-3,7-dimethylocta-2,6-dienyl]-1,3-thiazole-5-carboxamide has a molecular weight of 264.39 g/mol, XLogP of 3.57, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2E)-3,7-dimethylocta-2,6-dienyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 118769675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).