N'-[naphthalen-1-yl(phenyl)methyl]-N-(1,3-thiazol-2-yl)butanediamide

C24H21N3O2S — CID 86936286

IUPACN'-[naphthalen-1-yl(phenyl)methyl]-N-(1,3-thiazol-2-yl)butanediamide
SMILESO=C(CCC(=O)NC(c1ccccc1)c1cccc2ccccc12)Nc1nccs1
InChIInChI=1S/C24H21N3O2S/c28-21(13-14-22(29)27-24-25-15-16-30-24)26-23(18-8-2-1-3-9-18)20-12-6-10-17-7-4-5-11-19(17)20/h1-12,15-16,23H,13-14H2,(H,26,28)(H,25,27,29)
InChIKeyPALFPBMVQOVLIY-UHFFFAOYSA-N
MW415.52 g/mol
LogP4.92
Rot. Bonds7

About N'-[naphthalen-1-yl(phenyl)methyl]-N-(1,3-thiazol-2-yl)butanediamide

N'-[naphthalen-1-yl(phenyl)methyl]-N-(1,3-thiazol-2-yl)butanediamide (PubChem CID 86936286) has the molecular formula C24H21N3O2S and a molecular weight of 415.52 g/mol. Its IUPAC name is N'-[naphthalen-1-yl(phenyl)methyl]-N-(1,3-thiazol-2-yl)butanediamide.

Molecular Properties

Compound NameN'-[naphthalen-1-yl(phenyl)methyl]-N-(1,3-thiazol-2-yl)butanediamide
PubChem CID86936286
Molecular FormulaC24H21N3O2S
Molecular Weight415.52 g/mol
Exact Mass415.14
IUPAC NameN'-[naphthalen-1-yl(phenyl)methyl]-N-(1,3-thiazol-2-yl)butanediamide
SMILESO=C(CCC(=O)NC(c1ccccc1)c1cccc2ccccc12)Nc1nccs1
InChIInChI=1S/C24H21N3O2S/c28-21(13-14-22(29)27-24-25-15-16-30-24)26-23(18-8-2-1-3-9-18)20-12-6-10-17-7-4-5-11-19(17)20/h1-12,15-16,23H,13-14H2,(H,26,28)(H,25,27,29)
InChIKeyPALFPBMVQOVLIY-UHFFFAOYSA-N
XLogP4.92
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.52
LogP ≤ 54.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N'-benzhydryl-N-(1,3-thiazol-2-yl)butanediamide
CID 23964431
(3S)-3-naphthalen-1-yl-3-pyrrol-1-yl-N-(1,3-thiazol-2-yl)propanamide
CID 125123997
N-[(2S)-2-(dimethylamino)-2-naphthalen-1-ylethyl]-N'-(1,3-thiazol-2-yl)oxamide
CID 41454681
3-acetamido-N-[(R)-naphthalen-1-yl(phenyl)methyl]propanamide
CID 95620334
N-(3,4-dichlorophenyl)-N'-(1,3-thiazol-2-yl)butanediamide
CID 23822862
N,N'-bis(1,3-thiazol-2-yl)decanediamide
CID 17080102
2-phenyl-2-pyrrol-1-yl-N-(1,3-thiazol-2-yl)acetamide
CID 52992847
N-[3-[2-oxo-1-phenyl-2-(1,3-thiazol-2-ylamino)ethyl]sulfanylphenyl]butanamide
CID 18912469
3-benzylsulfanyl-N-(1,3-thiazol-2-yl)propanamide
CID 6498108
3-(furan-2-yl)-3-phenyl-N-(1,3-thiazol-2-yl)propanamide
CID 4221665
(2S)-2-phenyl-N-(1,3-thiazol-2-yl)propanamide
CID 97038201
2-phenyl-N-(1,3-thiazol-2-yl)butanamide
CID 2888884

Frequently Asked Questions

What is the IUPAC name of N'-[naphthalen-1-yl(phenyl)methyl]-N-(1,3-thiazol-2-yl)butanediamide?
The IUPAC name of N'-[naphthalen-1-yl(phenyl)methyl]-N-(1,3-thiazol-2-yl)butanediamide (CID 86936286) is N'-[naphthalen-1-yl(phenyl)methyl]-N-(1,3-thiazol-2-yl)butanediamide.
What is the SMILES notation for N'-[naphthalen-1-yl(phenyl)methyl]-N-(1,3-thiazol-2-yl)butanediamide?
The canonical SMILES for N'-[naphthalen-1-yl(phenyl)methyl]-N-(1,3-thiazol-2-yl)butanediamide is O=C(CCC(=O)NC(c1ccccc1)c1cccc2ccccc12)Nc1nccs1.
What is the InChIKey of N'-[naphthalen-1-yl(phenyl)methyl]-N-(1,3-thiazol-2-yl)butanediamide?
The InChIKey is PALFPBMVQOVLIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3O2S/c28-21(13-14-22(29)27-24-25-15-16-30-24)26-23(18-8-2-1-3-9-18)20-12-6-10-17-7-4-5-11-19(17)20/h1-12,15-16,23H,13-14H2,(H,26,28)(H,25,27,29).
What are the key properties of N'-[naphthalen-1-yl(phenyl)methyl]-N-(1,3-thiazol-2-yl)butanediamide?
N'-[naphthalen-1-yl(phenyl)methyl]-N-(1,3-thiazol-2-yl)butanediamide has a molecular weight of 415.52 g/mol, XLogP of 4.92, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[naphthalen-1-yl(phenyl)methyl]-N-(1,3-thiazol-2-yl)butanediamide is sourced from PubChem (CID 86936286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).