N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]octadecanamide

C27H43N3OS — CID 108748833

IUPACN-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]octadecanamide
SMILESCCCCCCCCCCCCCCCCCC(=O)NCc1csc(-c2ccccn2)n1
InChIInChI=1S/C27H43N3OS/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-26(31)29-22-24-23-32-27(30-24)25-19-17-18-21-28-25/h17-19,21,23H,2-16,20,22H2,1H3,(H,29,31)
InChIKeyRPOFJFGSGLXMQI-UHFFFAOYSA-N
MW457.73 g/mol
LogP8.08
Rot. Bonds19

About N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]octadecanamide

N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]octadecanamide (PubChem CID 108748833) has the molecular formula C27H43N3OS and a molecular weight of 457.73 g/mol. Its IUPAC name is N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]octadecanamide.

Molecular Properties

Compound NameN-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]octadecanamide
PubChem CID108748833
Molecular FormulaC27H43N3OS
Molecular Weight457.73 g/mol
Exact Mass457.31
IUPAC NameN-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]octadecanamide
SMILESCCCCCCCCCCCCCCCCCC(=O)NCc1csc(-c2ccccn2)n1
InChIInChI=1S/C27H43N3OS/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-26(31)29-22-24-23-32-27(30-24)25-19-17-18-21-28-25/h17-19,21,23H,2-16,20,22H2,1H3,(H,29,31)
InChIKeyRPOFJFGSGLXMQI-UHFFFAOYSA-N
XLogP8.08
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds19
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.73
LogP ≤ 58.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]pentanamide
CID 108748809
3-bromo-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]propanamide
CID 108748929
N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]octan-1-amine
CID 78921085
N-[[2-(diethylaminomethyl)phenyl]methyl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide
CID 34234720
2-(2-prop-2-enoxyphenoxy)-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]acetamide
CID 108770816
4-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methylamino]butanamide
CID 60863942
N-pentan-3-yl-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide
CID 17434682
N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]nonanamide
CID 56558069
N-propan-2-yl-3-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methylamino]propanamide
CID 115582676
N-butyl-N-methyl-3-(2-pyridin-2-yl-1,3-thiazol-4-yl)propanamide
CID 110329792
N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-3-(2-pyridin-2-yl-1,3-thiazol-4-yl)propanamide
CID 110406547
(2S)-2-[[2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetyl]amino]hexanoic acid
CID 39165215

Frequently Asked Questions

What is the IUPAC name of N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]octadecanamide?
The IUPAC name of N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]octadecanamide (CID 108748833) is N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]octadecanamide.
What is the SMILES notation for N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]octadecanamide?
The canonical SMILES for N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]octadecanamide is CCCCCCCCCCCCCCCCCC(=O)NCc1csc(-c2ccccn2)n1.
What is the InChIKey of N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]octadecanamide?
The InChIKey is RPOFJFGSGLXMQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H43N3OS/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-26(31)29-22-24-23-32-27(30-24)25-19-17-18-21-28-25/h17-19,21,23H,2-16,20,22H2,1H3,(H,29,31).
What are the key properties of N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]octadecanamide?
N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]octadecanamide has a molecular weight of 457.73 g/mol, XLogP of 8.08, 19 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]octadecanamide is sourced from PubChem (CID 108748833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).