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

C26H18N2OS — CID 3120660

IUPACN-(4-naphthalen-2-yl-1,3-thiazol-2-yl)-4-phenylbenzamide
SMILESO=C(Nc1nc(-c2ccc3ccccc3c2)cs1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C26H18N2OS/c29-25(21-13-10-20(11-14-21)18-6-2-1-3-7-18)28-26-27-24(17-30-26)23-15-12-19-8-4-5-9-22(19)16-23/h1-17H,(H,27,28,29)
InChIKeyCPQNUIAYJCZTAE-UHFFFAOYSA-N
MW406.51 g/mol
LogP6.88
Rot. Bonds4

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

N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)-4-phenylbenzamide (PubChem CID 3120660) has the molecular formula C26H18N2OS and a molecular weight of 406.51 g/mol. Its IUPAC name is N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)-4-phenylbenzamide.

Molecular Properties

Compound NameN-(4-naphthalen-2-yl-1,3-thiazol-2-yl)-4-phenylbenzamide
PubChem CID3120660
Molecular FormulaC26H18N2OS
Molecular Weight406.51 g/mol
Exact Mass406.11
IUPAC NameN-(4-naphthalen-2-yl-1,3-thiazol-2-yl)-4-phenylbenzamide
SMILESO=C(Nc1nc(-c2ccc3ccccc3c2)cs1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C26H18N2OS/c29-25(21-13-10-20(11-14-21)18-6-2-1-3-7-18)28-26-27-24(17-30-26)23-15-12-19-8-4-5-9-22(19)16-23/h1-17H,(H,27,28,29)
InChIKeyCPQNUIAYJCZTAE-UHFFFAOYSA-N
XLogP6.88
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.51
LogP ≤ 56.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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)naphthalene-2-carboxamide
CID 7917223
N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)-4-(trifluoromethyl)benzamide
CID 7917212
3,4-dimethyl-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)benzamide
CID 4277786
N-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]naphthalene-2-carboxamide
CID 4622509
4-chloro-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]benzamide
CID 2332435
2-N,6-N-bis(4-naphthalen-2-yl-1,3-thiazol-2-yl)pyridine-2,6-dicarboxamide
CID 4195615
N-[4-(4-phenoxyphenyl)-1,3-thiazol-2-yl]naphthalene-2-carboxamide
CID 4111369
4-phenyl-N-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]benzamide
CID 4220609
4-acetamido-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]benzamide
CID 2463728
3,4,5-triethoxy-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)benzamide
CID 5147525
3-methoxy-4-methyl-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)benzamide
CID 18229856

Frequently Asked Questions

What is the IUPAC name of N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)-4-phenylbenzamide?
The IUPAC name of N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)-4-phenylbenzamide (CID 3120660) is N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)-4-phenylbenzamide.
What is the SMILES notation for N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)-4-phenylbenzamide?
The canonical SMILES for N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)-4-phenylbenzamide is O=C(Nc1nc(-c2ccc3ccccc3c2)cs1)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)-4-phenylbenzamide?
The InChIKey is CPQNUIAYJCZTAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H18N2OS/c29-25(21-13-10-20(11-14-21)18-6-2-1-3-7-18)28-26-27-24(17-30-26)23-15-12-19-8-4-5-9-22(19)16-23/h1-17H,(H,27,28,29).
What are the key properties of N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)-4-phenylbenzamide?
N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)-4-phenylbenzamide has a molecular weight of 406.51 g/mol, XLogP of 6.88, 4 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)-4-phenylbenzamide is sourced from PubChem (CID 3120660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).