N-octyl-N'-(1,3-thiazol-2-yl)propanediamide

C14H23N3O2S — CID 53238845

IUPACN-octyl-N'-(1,3-thiazol-2-yl)propanediamide
SMILESCCCCCCCCNC(=O)CC(=O)Nc1nccs1
InChIInChI=1S/C14H23N3O2S/c1-2-3-4-5-6-7-8-15-12(18)11-13(19)17-14-16-9-10-20-14/h9-10H,2-8,11H2,1H3,(H,15,18)(H,16,17,19)
InChIKeyJCIFAJGMJKXGQC-UHFFFAOYSA-N
MW297.42 g/mol
LogP2.95
Rot. Bonds10

About N-octyl-N'-(1,3-thiazol-2-yl)propanediamide

N-octyl-N'-(1,3-thiazol-2-yl)propanediamide (PubChem CID 53238845) has the molecular formula C14H23N3O2S and a molecular weight of 297.42 g/mol. Its IUPAC name is N-octyl-N'-(1,3-thiazol-2-yl)propanediamide.

Molecular Properties

Compound NameN-octyl-N'-(1,3-thiazol-2-yl)propanediamide
PubChem CID53238845
Molecular FormulaC14H23N3O2S
Molecular Weight297.42 g/mol
Exact Mass297.15
IUPAC NameN-octyl-N'-(1,3-thiazol-2-yl)propanediamide
SMILESCCCCCCCCNC(=O)CC(=O)Nc1nccs1
InChIInChI=1S/C14H23N3O2S/c1-2-3-4-5-6-7-8-15-12(18)11-13(19)17-14-16-9-10-20-14/h9-10H,2-8,11H2,1H3,(H,15,18)(H,16,17,19)
InChIKeyJCIFAJGMJKXGQC-UHFFFAOYSA-N
XLogP2.95
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.42
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

N1-Cyclopentyl-N2-(thiazol-2-YL)oxalamide
CID 2255489
3-Oxo-N-2-thiazolylbutanamide
CID 12811
Propanamide, 3-(4-methyl-1-piperidyl)-N-(2-thiazolyl)-
CID 574554
2-(4-Acetylamino-piperidin-1-yl)-N-thiazol-2-yl-acetamide
CID 3220976
N-dodecyl-N'-(1,3-thiazol-2-yl)oxamide
CID 581431
Propanamide, 3-(1-pyrrolidinyl)-N-(2-thiazolyl)-
CID 558586
3-oxo-N-(1,3-thiazol-2-yl)dodecanamide
CID 53238622
N-(1,3-Thiazol-2-yl)propanamide
CID 247650
N-(methylcarbamoyl)-3-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propanamide
CID 37258865
N-cyclopentyl-2-(1,3-thiazol-2-ylcarbamoylamino)propanamide
CID 47076630
1-[3-(1,3-Thiazol-2-ylcarbamoylamino)propyl]piperidine-4-carboxamide
CID 56796137
N-(1,3-thiazol-2-yl)pentanamide
CID 4035581

Frequently Asked Questions

What is the IUPAC name of N-octyl-N'-(1,3-thiazol-2-yl)propanediamide?
The IUPAC name of N-octyl-N'-(1,3-thiazol-2-yl)propanediamide (CID 53238845) is N-octyl-N'-(1,3-thiazol-2-yl)propanediamide.
What is the SMILES notation for N-octyl-N'-(1,3-thiazol-2-yl)propanediamide?
The canonical SMILES for N-octyl-N'-(1,3-thiazol-2-yl)propanediamide is CCCCCCCCNC(=O)CC(=O)Nc1nccs1.
What is the InChIKey of N-octyl-N'-(1,3-thiazol-2-yl)propanediamide?
The InChIKey is JCIFAJGMJKXGQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2S/c1-2-3-4-5-6-7-8-15-12(18)11-13(19)17-14-16-9-10-20-14/h9-10H,2-8,11H2,1H3,(H,15,18)(H,16,17,19).
What are the key properties of N-octyl-N'-(1,3-thiazol-2-yl)propanediamide?
N-octyl-N'-(1,3-thiazol-2-yl)propanediamide has a molecular weight of 297.42 g/mol, XLogP of 2.95, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-octyl-N'-(1,3-thiazol-2-yl)propanediamide is sourced from PubChem (CID 53238845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).