N-[5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-yl]-3-naphthalen-1-ylprop-2-enamide

C23H17ClN2OS — CID 4517789

IUPACN-[5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-yl]-3-naphthalen-1-ylprop-2-enamide
SMILESO=C(C=Cc1cccc2ccccc12)Nc1ncc(Cc2cccc(Cl)c2)s1
InChIInChI=1S/C23H17ClN2OS/c24-19-9-3-5-16(13-19)14-20-15-25-23(28-20)26-22(27)12-11-18-8-4-7-17-6-1-2-10-21(17)18/h1-13,15H,14H2,(H,25,26,27)
InChIKeySEFJHUCHDRJRJG-UHFFFAOYSA-N
MW404.92 g/mol
LogP6.19
Rot. Bonds5

About N-[5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-yl]-3-naphthalen-1-ylprop-2-enamide

N-[5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-yl]-3-naphthalen-1-ylprop-2-enamide (PubChem CID 4517789) has the molecular formula C23H17ClN2OS and a molecular weight of 404.92 g/mol. Its IUPAC name is N-[5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-yl]-3-naphthalen-1-ylprop-2-enamide.

Molecular Properties

Compound NameN-[5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-yl]-3-naphthalen-1-ylprop-2-enamide
PubChem CID4517789
Molecular FormulaC23H17ClN2OS
Molecular Weight404.92 g/mol
Exact Mass404.08
IUPAC NameN-[5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-yl]-3-naphthalen-1-ylprop-2-enamide
SMILESO=C(C=Cc1cccc2ccccc12)Nc1ncc(Cc2cccc(Cl)c2)s1
InChIInChI=1S/C23H17ClN2OS/c24-19-9-3-5-16(13-19)14-20-15-25-23(28-20)26-22(27)12-11-18-8-4-7-17-6-1-2-10-21(17)18/h1-13,15H,14H2,(H,25,26,27)
InChIKeySEFJHUCHDRJRJG-UHFFFAOYSA-N
XLogP6.19
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.92
LogP ≤ 56.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-3-naphthalen-1-ylprop-2-enamide
CID 3928998
3-(2-chlorophenyl)-N-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]prop-2-enamide
CID 2873182
N-[5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-yl]-1H-indazole-3-carboxamide
CID 42353684
(2S)-N-[5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2-phenylbutanamide
CID 58033052
N-[5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-yl]-3-(methoxymethyl)benzamide
CID 42353300
(E)-N-[5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2-cyano-3-phenylprop-2-enamide
CID 1180772
2-acetamido-N-[5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-yl]propanamide
CID 43045656
(E)-N-(5-benzyl-1,3-thiazol-2-yl)-3-[4-chloro-3-(trifluoromethyl)phenyl]prop-2-enamide
CID 18827601
N-[5-[(3,4-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-3-[3-(trifluoromethyl)phenyl]prop-2-enamide
CID 5162943
N-[5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-yl]-4-(4-oxoquinazolin-3-yl)butanamide
CID 30179121
3-(4-chlorophenyl)-N-[5-[(2,5-dichlorophenyl)methyl]-1,3-thiazol-2-yl]prop-2-enamide
CID 4229329
(Z)-N-(1,3-benzothiazol-2-yl)-3-naphthalen-1-ylprop-2-enamide
CID 92898547

Frequently Asked Questions

What is the IUPAC name of N-[5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-yl]-3-naphthalen-1-ylprop-2-enamide?
The IUPAC name of N-[5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-yl]-3-naphthalen-1-ylprop-2-enamide (CID 4517789) is N-[5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-yl]-3-naphthalen-1-ylprop-2-enamide.
What is the SMILES notation for N-[5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-yl]-3-naphthalen-1-ylprop-2-enamide?
The canonical SMILES for N-[5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-yl]-3-naphthalen-1-ylprop-2-enamide is O=C(C=Cc1cccc2ccccc12)Nc1ncc(Cc2cccc(Cl)c2)s1.
What is the InChIKey of N-[5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-yl]-3-naphthalen-1-ylprop-2-enamide?
The InChIKey is SEFJHUCHDRJRJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17ClN2OS/c24-19-9-3-5-16(13-19)14-20-15-25-23(28-20)26-22(27)12-11-18-8-4-7-17-6-1-2-10-21(17)18/h1-13,15H,14H2,(H,25,26,27).
What are the key properties of N-[5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-yl]-3-naphthalen-1-ylprop-2-enamide?
N-[5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-yl]-3-naphthalen-1-ylprop-2-enamide has a molecular weight of 404.92 g/mol, XLogP of 6.19, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-yl]-3-naphthalen-1-ylprop-2-enamide is sourced from PubChem (CID 4517789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).