2-[(4-naphthalen-2-yl-1,3-thiazol-2-yl)methyl]-1,3-thiazol-4-ol

C17H12N2OS2 — CID 1482061

IUPAC2-[(4-naphthalen-2-yl-1,3-thiazol-2-yl)methyl]-1,3-thiazol-4-ol
SMILESOc1csc(Cc2nc(-c3ccc4ccccc4c3)cs2)n1
InChIInChI=1S/C17H12N2OS2/c20-15-10-22-17(19-15)8-16-18-14(9-21-16)13-6-5-11-3-1-2-4-12(11)7-13/h1-7,9-10,20H,8H2
InChIKeyQNOLKOJERUTKGY-UHFFFAOYSA-N
MW324.43 g/mol
LogP4.72
Rot. Bonds3

About 2-[(4-naphthalen-2-yl-1,3-thiazol-2-yl)methyl]-1,3-thiazol-4-ol

2-[(4-naphthalen-2-yl-1,3-thiazol-2-yl)methyl]-1,3-thiazol-4-ol (PubChem CID 1482061) has the molecular formula C17H12N2OS2 and a molecular weight of 324.43 g/mol. Its IUPAC name is 2-[(4-naphthalen-2-yl-1,3-thiazol-2-yl)methyl]-1,3-thiazol-4-ol.

Molecular Properties

Compound Name2-[(4-naphthalen-2-yl-1,3-thiazol-2-yl)methyl]-1,3-thiazol-4-ol
PubChem CID1482061
Molecular FormulaC17H12N2OS2
Molecular Weight324.43 g/mol
Exact Mass324.04
IUPAC Name2-[(4-naphthalen-2-yl-1,3-thiazol-2-yl)methyl]-1,3-thiazol-4-ol
SMILESOc1csc(Cc2nc(-c3ccc4ccccc4c3)cs2)n1
InChIInChI=1S/C17H12N2OS2/c20-15-10-22-17(19-15)8-16-18-14(9-21-16)13-6-5-11-3-1-2-4-12(11)7-13/h1-7,9-10,20H,8H2
InChIKeyQNOLKOJERUTKGY-UHFFFAOYSA-N
XLogP4.72
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.43
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-{[4-(2-Fluorophenyl)-1,3-thiazol-2-yl]methyl}-1,3-thiazol-4-ol
CID 1482068
5-Methylsulfanyl-4-(4-naphthalen-2-yl-thiazol-2-yl)-thiophene-2-carboxamidine
CID 18537298
2-[(4-[1,1'-Biphenyl]-4-yl-1,3-thiazol-2-yl)methyl]-1,3-thiazol-4-ol
CID 1473456
2-[(5-Methyl-4-phenyl-1,3-thiazol-2-yl)methyl]-1,3-thiazol-4-ol
CID 4318310
4-(2-Naphthyl)-2-phenyl-1,3-thiazole
CID 7573709
2-Phenyl-4-(4-(4-phenylthiazol-2-yl)phenyl)thiazole
CID 101069938
4-Naphthalen-1-yl-2-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]-1,3-thiazole
CID 155531845
4-[2-[3-(2-Phenyl-1,3-thiazol-4-yl)phenyl]-1,3-thiazol-4-yl]benzonitrile
CID 162645716
4-Naphthalen-1-yl-2-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]-1,3-thiazole
CID 162648647
2-Phenyl-4-[3-(4-phenyl-1,3-thiazol-2-yl)phenyl]-1,3-thiazole
CID 162676685
Bis(4-(p-tolyl)thiazol-2-yl)methane
CID 2346006
2-Methyl-4-(2-naphthyl)-1,3-thiazole
CID 784967

Frequently Asked Questions

What is the IUPAC name of 2-[(4-naphthalen-2-yl-1,3-thiazol-2-yl)methyl]-1,3-thiazol-4-ol?
The IUPAC name of 2-[(4-naphthalen-2-yl-1,3-thiazol-2-yl)methyl]-1,3-thiazol-4-ol (CID 1482061) is 2-[(4-naphthalen-2-yl-1,3-thiazol-2-yl)methyl]-1,3-thiazol-4-ol.
What is the SMILES notation for 2-[(4-naphthalen-2-yl-1,3-thiazol-2-yl)methyl]-1,3-thiazol-4-ol?
The canonical SMILES for 2-[(4-naphthalen-2-yl-1,3-thiazol-2-yl)methyl]-1,3-thiazol-4-ol is Oc1csc(Cc2nc(-c3ccc4ccccc4c3)cs2)n1.
What is the InChIKey of 2-[(4-naphthalen-2-yl-1,3-thiazol-2-yl)methyl]-1,3-thiazol-4-ol?
The InChIKey is QNOLKOJERUTKGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N2OS2/c20-15-10-22-17(19-15)8-16-18-14(9-21-16)13-6-5-11-3-1-2-4-12(11)7-13/h1-7,9-10,20H,8H2.
What are the key properties of 2-[(4-naphthalen-2-yl-1,3-thiazol-2-yl)methyl]-1,3-thiazol-4-ol?
2-[(4-naphthalen-2-yl-1,3-thiazol-2-yl)methyl]-1,3-thiazol-4-ol has a molecular weight of 324.43 g/mol, XLogP of 4.72, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-naphthalen-2-yl-1,3-thiazol-2-yl)methyl]-1,3-thiazol-4-ol is sourced from PubChem (CID 1482061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).