2-(4-methylphenyl)-5-naphthalen-1-yl-1,3-thiazole

C20H15NS — CID 23244777

IUPAC2-(4-methylphenyl)-5-naphthalen-1-yl-1,3-thiazole
SMILESCc1ccc(-c2ncc(-c3cccc4ccccc34)s2)cc1
InChIInChI=1S/C20H15NS/c1-14-9-11-16(12-10-14)20-21-13-19(22-20)18-8-4-6-15-5-2-3-7-17(15)18/h2-13H,1H3
InChIKeyJXBMDRJYMSASLD-UHFFFAOYSA-N
MW301.41 g/mol
LogP5.94
Rot. Bonds2

About 2-(4-methylphenyl)-5-naphthalen-1-yl-1,3-thiazole

2-(4-methylphenyl)-5-naphthalen-1-yl-1,3-thiazole (PubChem CID 23244777) has the molecular formula C20H15NS and a molecular weight of 301.41 g/mol. Its IUPAC name is 2-(4-methylphenyl)-5-naphthalen-1-yl-1,3-thiazole.

Molecular Properties

Compound Name2-(4-methylphenyl)-5-naphthalen-1-yl-1,3-thiazole
PubChem CID23244777
Molecular FormulaC20H15NS
Molecular Weight301.41 g/mol
Exact Mass301.09
IUPAC Name2-(4-methylphenyl)-5-naphthalen-1-yl-1,3-thiazole
SMILESCc1ccc(-c2ncc(-c3cccc4ccccc34)s2)cc1
InChIInChI=1S/C20H15NS/c1-14-9-11-16(12-10-14)20-21-13-19(22-20)18-8-4-6-15-5-2-3-7-17(15)18/h2-13H,1H3
InChIKeyJXBMDRJYMSASLD-UHFFFAOYSA-N
XLogP5.94
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500301.41
LogP ≤ 55.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-naphthalen-1-yl-1,3-thiazol-2-amine
CID 17015170
5-methyl-2-naphthalen-1-ylpyridine
CID 59742245
2-(3-methylphenyl)-5-naphthalen-1-ylthiophene
CID 59500404
1,1-dimethyl-2-[(5-naphthalen-1-yl-1,3-thiazol-2-yl)methyl]hydrazine
CID 53272757
2-naphthalen-1-yl-5-(4-propan-2-ylphenyl)-1,3,4-thiadiazole
CID 139674328
2-naphthalen-1-yl-5-[5-[5-(5-naphthalen-1-ylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophene
CID 14929397
2-naphthalen-2-yl-5-phenyl-1,3-thiazole
CID 90384723
5-ethoxy-2-naphthalen-1-yl-1,3-thiazole
CID 57148590
[4-[5-(5-methyl-1,2-oxazol-4-yl)-1,3-thiazol-2-yl]phenyl]methanamine
CID 102707145
1-[2-(4-methylphenyl)-1,3-thiazol-5-yl]propan-2-ol
CID 115091903
2,6-bis(4-methylphenyl)-9,10-dinaphthalen-1-ylanthracene
CID 59766352
1-(furan-2-yl)-N-[(5-naphthalen-1-yl-1,3-thiazol-2-yl)methyl]methanamine
CID 53272679

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenyl)-5-naphthalen-1-yl-1,3-thiazole?
The IUPAC name of 2-(4-methylphenyl)-5-naphthalen-1-yl-1,3-thiazole (CID 23244777) is 2-(4-methylphenyl)-5-naphthalen-1-yl-1,3-thiazole.
What is the SMILES notation for 2-(4-methylphenyl)-5-naphthalen-1-yl-1,3-thiazole?
The canonical SMILES for 2-(4-methylphenyl)-5-naphthalen-1-yl-1,3-thiazole is Cc1ccc(-c2ncc(-c3cccc4ccccc34)s2)cc1.
What is the InChIKey of 2-(4-methylphenyl)-5-naphthalen-1-yl-1,3-thiazole?
The InChIKey is JXBMDRJYMSASLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15NS/c1-14-9-11-16(12-10-14)20-21-13-19(22-20)18-8-4-6-15-5-2-3-7-17(15)18/h2-13H,1H3.
What are the key properties of 2-(4-methylphenyl)-5-naphthalen-1-yl-1,3-thiazole?
2-(4-methylphenyl)-5-naphthalen-1-yl-1,3-thiazole has a molecular weight of 301.41 g/mol, XLogP of 5.94, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenyl)-5-naphthalen-1-yl-1,3-thiazole is sourced from PubChem (CID 23244777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).