N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)octadecanamide

C31H44N2OS — CID 108733431

IUPACN-(4-naphthalen-2-yl-1,3-thiazol-2-yl)octadecanamide
SMILESCCCCCCCCCCCCCCCCCC(=O)Nc1nc(-c2ccc3ccccc3c2)cs1
InChIInChI=1S/C31H44N2OS/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-21-30(34)33-31-32-29(25-35-31)28-23-22-26-19-17-18-20-27(26)24-28/h17-20,22-25H,2-16,21H2,1H3,(H,32,33,34)
InChIKeyDLWBQELTXNZXCC-UHFFFAOYSA-N
MW492.77 g/mol
LogP10.16
Rot. Bonds18

About N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)octadecanamide

N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)octadecanamide (PubChem CID 108733431) has the molecular formula C31H44N2OS and a molecular weight of 492.77 g/mol. Its IUPAC name is N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)octadecanamide.

Molecular Properties

Compound NameN-(4-naphthalen-2-yl-1,3-thiazol-2-yl)octadecanamide
PubChem CID108733431
Molecular FormulaC31H44N2OS
Molecular Weight492.77 g/mol
Exact Mass492.32
IUPAC NameN-(4-naphthalen-2-yl-1,3-thiazol-2-yl)octadecanamide
SMILESCCCCCCCCCCCCCCCCCC(=O)Nc1nc(-c2ccc3ccccc3c2)cs1
InChIInChI=1S/C31H44N2OS/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-21-30(34)33-31-32-29(25-35-31)28-23-22-26-19-17-18-20-27(26)24-28/h17-20,22-25H,2-16,21H2,1H3,(H,32,33,34)
InChIKeyDLWBQELTXNZXCC-UHFFFAOYSA-N
XLogP10.16
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds18
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.77
LogP ≤ 510.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]hexadecanamide
CID 4161318
N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]decanamide
CID 4302943
butyl N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)carbamate
CID 108733444
2-chloro-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)acetamide
CID 3513866
N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]hexanamide
CID 18083975
4-naphthalen-2-yl-N-[(Z)-octan-2-ylideneamino]-1,3-thiazol-2-amine
CID 90665470
N-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]nonanamide
CID 4874226
N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)-2-phenoxyacetamide
CID 3647343
2-ethyl-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)butanamide
CID 110441776
2-naphthalen-2-yloxy-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)acetamide
CID 3973055
2-(4-methoxyphenoxy)-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)acetamide
CID 7917274
N-[3-[2-[(4-naphthalen-2-yl-1,3-thiazol-2-yl)amino]-2-oxoethyl]sulfanylphenyl]butanamide
CID 18899148

Frequently Asked Questions

What is the IUPAC name of N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)octadecanamide?
The IUPAC name of N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)octadecanamide (CID 108733431) is N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)octadecanamide.
What is the SMILES notation for N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)octadecanamide?
The canonical SMILES for N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)octadecanamide is CCCCCCCCCCCCCCCCCC(=O)Nc1nc(-c2ccc3ccccc3c2)cs1.
What is the InChIKey of N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)octadecanamide?
The InChIKey is DLWBQELTXNZXCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H44N2OS/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-21-30(34)33-31-32-29(25-35-31)28-23-22-26-19-17-18-20-27(26)24-28/h17-20,22-25H,2-16,21H2,1H3,(H,32,33,34).
What are the key properties of N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)octadecanamide?
N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)octadecanamide has a molecular weight of 492.77 g/mol, XLogP of 10.16, 18 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)octadecanamide is sourced from PubChem (CID 108733431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).