4-(1,2-dihydroacenaphthylen-5-yl)-1,3-thiazole

C15H11NS — CID 5202950

IUPAC4-(1,2-dihydroacenaphthylen-5-yl)-1,3-thiazole
SMILESc1cc2c3c(ccc(-c4cscn4)c3c1)CC2
InChIInChI=1S/C15H11NS/c1-2-10-4-5-11-6-7-12(13(3-1)15(10)11)14-8-17-9-16-14/h1-3,6-9H,4-5H2
InChIKeyLUBJACPMLDBAEC-UHFFFAOYSA-N
MW237.33 g/mol
LogP4.06
Rot. Bonds1

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

4-(1,2-dihydroacenaphthylen-5-yl)-1,3-thiazole (PubChem CID 5202950) has the molecular formula C15H11NS and a molecular weight of 237.33 g/mol. Its IUPAC name is 4-(1,2-dihydroacenaphthylen-5-yl)-1,3-thiazole.

Molecular Properties

Compound Name4-(1,2-dihydroacenaphthylen-5-yl)-1,3-thiazole
PubChem CID5202950
Molecular FormulaC15H11NS
Molecular Weight237.33 g/mol
Exact Mass237.06
IUPAC Name4-(1,2-dihydroacenaphthylen-5-yl)-1,3-thiazole
SMILESc1cc2c3c(ccc(-c4cscn4)c3c1)CC2
InChIInChI=1S/C15H11NS/c1-2-10-4-5-11-6-7-12(13(3-1)15(10)11)14-8-17-9-16-14/h1-3,6-9H,4-5H2
InChIKeyLUBJACPMLDBAEC-UHFFFAOYSA-N
XLogP4.06
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.33
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(1,2-dihydroacenaphthylen-5-yl)-1,3-thiazole?
The IUPAC name of 4-(1,2-dihydroacenaphthylen-5-yl)-1,3-thiazole (CID 5202950) is 4-(1,2-dihydroacenaphthylen-5-yl)-1,3-thiazole.
What is the SMILES notation for 4-(1,2-dihydroacenaphthylen-5-yl)-1,3-thiazole?
The canonical SMILES for 4-(1,2-dihydroacenaphthylen-5-yl)-1,3-thiazole is c1cc2c3c(ccc(-c4cscn4)c3c1)CC2.
What is the InChIKey of 4-(1,2-dihydroacenaphthylen-5-yl)-1,3-thiazole?
The InChIKey is LUBJACPMLDBAEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11NS/c1-2-10-4-5-11-6-7-12(13(3-1)15(10)11)14-8-17-9-16-14/h1-3,6-9H,4-5H2.
What are the key properties of 4-(1,2-dihydroacenaphthylen-5-yl)-1,3-thiazole?
4-(1,2-dihydroacenaphthylen-5-yl)-1,3-thiazole has a molecular weight of 237.33 g/mol, XLogP of 4.06, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,2-dihydroacenaphthylen-5-yl)-1,3-thiazole is sourced from PubChem (CID 5202950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).