4-methyl-N-[2-(naphthalen-1-ylamino)ethyl]-2-(phenoxymethyl)-1,3-thiazole-5-carboxamide

C24H23N3O2S — CID 28935734

IUPAC4-methyl-N-[2-(naphthalen-1-ylamino)ethyl]-2-(phenoxymethyl)-1,3-thiazole-5-carboxamide
SMILESCc1nc(COc2ccccc2)sc1C(=O)NCCNc1cccc2ccccc12
InChIInChI=1S/C24H23N3O2S/c1-17-23(30-22(27-17)16-29-19-10-3-2-4-11-19)24(28)26-15-14-25-21-13-7-9-18-8-5-6-12-20(18)21/h2-13,25H,14-16H2,1H3,(H,26,28)
InChIKeyJDPYIKORQXLSJJ-UHFFFAOYSA-N
MW417.53 g/mol
LogP5.03
Rot. Bonds8

About 4-methyl-N-[2-(naphthalen-1-ylamino)ethyl]-2-(phenoxymethyl)-1,3-thiazole-5-carboxamide

4-methyl-N-[2-(naphthalen-1-ylamino)ethyl]-2-(phenoxymethyl)-1,3-thiazole-5-carboxamide (PubChem CID 28935734) has the molecular formula C24H23N3O2S and a molecular weight of 417.53 g/mol. Its IUPAC name is 4-methyl-N-[2-(naphthalen-1-ylamino)ethyl]-2-(phenoxymethyl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-methyl-N-[2-(naphthalen-1-ylamino)ethyl]-2-(phenoxymethyl)-1,3-thiazole-5-carboxamide
PubChem CID28935734
Molecular FormulaC24H23N3O2S
Molecular Weight417.53 g/mol
Exact Mass417.15
IUPAC Name4-methyl-N-[2-(naphthalen-1-ylamino)ethyl]-2-(phenoxymethyl)-1,3-thiazole-5-carboxamide
SMILESCc1nc(COc2ccccc2)sc1C(=O)NCCNc1cccc2ccccc12
InChIInChI=1S/C24H23N3O2S/c1-17-23(30-22(27-17)16-29-19-10-3-2-4-11-19)24(28)26-15-14-25-21-13-7-9-18-8-5-6-12-20(18)21/h2-13,25H,14-16H2,1H3,(H,26,28)
InChIKeyJDPYIKORQXLSJJ-UHFFFAOYSA-N
XLogP5.03
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.53
LogP ≤ 55.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-methyl-N-(3-methylbutyl)-2-(phenoxymethyl)-1,3-thiazole-5-carboxamide
CID 28936080
N-[(4-chlorophenyl)methyl]-4-methyl-2-(phenoxymethyl)-1,3-thiazole-5-carboxamide
CID 28936066
4-methyl-2-(phenoxymethyl)-1,3-thiazole-5-carboxylic acid;hydrochloride
CID 18593832
N-[2-[(4-chlorobenzoyl)amino]ethyl]-2-[(4-chlorophenoxy)methyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 55546254
2-ethyl-4-methyl-N-[2-[(2-phenoxyacetyl)amino]ethyl]-1,3-thiazole-5-carboxamide
CID 49324825
N-(4-methoxyphenyl)-4-methyl-2-(phenoxymethyl)-1,3-thiazole-5-carboxamide
CID 28935560
N-(2-fluorophenyl)-4-methyl-2-[(3-methylphenoxy)methyl]-1,3-thiazole-5-carboxamide
CID 46741091
N-(4-bromophenyl)-4-methyl-2-(phenoxymethyl)-1,3-thiazole-5-carboxamide
CID 28935655
N-(4-fluorophenyl)-4-methyl-2-(phenoxymethyl)-1,3-thiazole-5-carboxamide
CID 50753451
N-[2-(dimethylamino)ethyl]-4-methyl-2-[(4-methylphenoxy)methyl]-1,3-thiazole-5-carboxamide
CID 50753393
N-[2-(dimethylamino)ethyl]-4-methyl-2-(pyridin-3-yloxymethyl)-1,3-thiazole-5-carboxamide
CID 110341948
2-(methoxymethyl)-4-methyl-N-(2-phenylethyl)-1,3-thiazole-5-carboxamide
CID 110374817

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[2-(naphthalen-1-ylamino)ethyl]-2-(phenoxymethyl)-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-methyl-N-[2-(naphthalen-1-ylamino)ethyl]-2-(phenoxymethyl)-1,3-thiazole-5-carboxamide (CID 28935734) is 4-methyl-N-[2-(naphthalen-1-ylamino)ethyl]-2-(phenoxymethyl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-methyl-N-[2-(naphthalen-1-ylamino)ethyl]-2-(phenoxymethyl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-methyl-N-[2-(naphthalen-1-ylamino)ethyl]-2-(phenoxymethyl)-1,3-thiazole-5-carboxamide is Cc1nc(COc2ccccc2)sc1C(=O)NCCNc1cccc2ccccc12.
What is the InChIKey of 4-methyl-N-[2-(naphthalen-1-ylamino)ethyl]-2-(phenoxymethyl)-1,3-thiazole-5-carboxamide?
The InChIKey is JDPYIKORQXLSJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O2S/c1-17-23(30-22(27-17)16-29-19-10-3-2-4-11-19)24(28)26-15-14-25-21-13-7-9-18-8-5-6-12-20(18)21/h2-13,25H,14-16H2,1H3,(H,26,28).
What are the key properties of 4-methyl-N-[2-(naphthalen-1-ylamino)ethyl]-2-(phenoxymethyl)-1,3-thiazole-5-carboxamide?
4-methyl-N-[2-(naphthalen-1-ylamino)ethyl]-2-(phenoxymethyl)-1,3-thiazole-5-carboxamide has a molecular weight of 417.53 g/mol, XLogP of 5.03, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[2-(naphthalen-1-ylamino)ethyl]-2-(phenoxymethyl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 28935734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).