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

C22H18N2OS — CID 4277786

IUPAC3,4-dimethyl-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)benzamide
SMILESCc1ccc(C(=O)Nc2nc(-c3ccc4ccccc4c3)cs2)cc1C
InChIInChI=1S/C22H18N2OS/c1-14-7-8-19(11-15(14)2)21(25)24-22-23-20(13-26-22)18-10-9-16-5-3-4-6-17(16)12-18/h3-13H,1-2H3,(H,23,24,25)
InChIKeyZWRBNMJHLJHWEG-UHFFFAOYSA-N
MW358.47 g/mol
LogP5.83
Rot. Bonds3

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

3,4-dimethyl-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)benzamide (PubChem CID 4277786) has the molecular formula C22H18N2OS and a molecular weight of 358.47 g/mol. Its IUPAC name is 3,4-dimethyl-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)benzamide.

Molecular Properties

Compound Name3,4-dimethyl-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)benzamide
PubChem CID4277786
Molecular FormulaC22H18N2OS
Molecular Weight358.47 g/mol
Exact Mass358.11
IUPAC Name3,4-dimethyl-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)benzamide
SMILESCc1ccc(C(=O)Nc2nc(-c3ccc4ccccc4c3)cs2)cc1C
InChIInChI=1S/C22H18N2OS/c1-14-7-8-19(11-15(14)2)21(25)24-22-23-20(13-26-22)18-10-9-16-5-3-4-6-17(16)12-18/h3-13H,1-2H3,(H,23,24,25)
InChIKeyZWRBNMJHLJHWEG-UHFFFAOYSA-N
XLogP5.83
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.47
LogP ≤ 55.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)naphthalene-2-carboxamide
CID 7917223
3-methoxy-4-methyl-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)benzamide
CID 18229856
1-N,4-N-bis(4-naphthalen-2-yl-1,3-thiazol-2-yl)benzene-1,4-dicarboxamide
CID 5130675
N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)-4-phenylbenzamide
CID 3120660
N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-3,4-dimethylbenzamide
CID 16820840
N-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]naphthalene-2-carboxamide
CID 4622509
N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)-4-(trifluoromethyl)benzamide
CID 7917212
N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-3-methoxybenzamide
CID 734137
4-methoxy-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)-3-nitrobenzamide
CID 7917259
2-N,6-N-bis(4-naphthalen-2-yl-1,3-thiazol-2-yl)pyridine-2,6-dicarboxamide
CID 4195615
5-methyl-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)thiophene-2-carboxamide
CID 16549476
N-[4-(4-phenoxyphenyl)-1,3-thiazol-2-yl]naphthalene-2-carboxamide
CID 4111369

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)benzamide?
The IUPAC name of 3,4-dimethyl-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)benzamide (CID 4277786) is 3,4-dimethyl-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)benzamide.
What is the SMILES notation for 3,4-dimethyl-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)benzamide?
The canonical SMILES for 3,4-dimethyl-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)benzamide is Cc1ccc(C(=O)Nc2nc(-c3ccc4ccccc4c3)cs2)cc1C.
What is the InChIKey of 3,4-dimethyl-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)benzamide?
The InChIKey is ZWRBNMJHLJHWEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N2OS/c1-14-7-8-19(11-15(14)2)21(25)24-22-23-20(13-26-22)18-10-9-16-5-3-4-6-17(16)12-18/h3-13H,1-2H3,(H,23,24,25).
What are the key properties of 3,4-dimethyl-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)benzamide?
3,4-dimethyl-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)benzamide has a molecular weight of 358.47 g/mol, XLogP of 5.83, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)benzamide is sourced from PubChem (CID 4277786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).