4-chloro-2-naphthalen-1-yl-1,3-benzothiazole

C17H10ClNS — CID 50850248

IUPAC4-chloro-2-naphthalen-1-yl-1,3-benzothiazole
SMILESClc1cccc2sc(-c3cccc4ccccc34)nc12
InChIInChI=1S/C17H10ClNS/c18-14-9-4-10-15-16(14)19-17(20-15)13-8-3-6-11-5-1-2-7-12(11)13/h1-10H
InChIKeyQODNHRCTAJSTCK-UHFFFAOYSA-N
MW295.79 g/mol
LogP5.77
Rot. Bonds1

About 4-chloro-2-naphthalen-1-yl-1,3-benzothiazole

4-chloro-2-naphthalen-1-yl-1,3-benzothiazole (PubChem CID 50850248) has the molecular formula C17H10ClNS and a molecular weight of 295.79 g/mol. Its IUPAC name is 4-chloro-2-naphthalen-1-yl-1,3-benzothiazole.

Molecular Properties

Compound Name4-chloro-2-naphthalen-1-yl-1,3-benzothiazole
PubChem CID50850248
Molecular FormulaC17H10ClNS
Molecular Weight295.79 g/mol
Exact Mass295.02
IUPAC Name4-chloro-2-naphthalen-1-yl-1,3-benzothiazole
SMILESClc1cccc2sc(-c3cccc4ccccc34)nc12
InChIInChI=1S/C17H10ClNS/c18-14-9-4-10-15-16(14)19-17(20-15)13-8-3-6-11-5-1-2-7-12(11)13/h1-10H
InChIKeyQODNHRCTAJSTCK-UHFFFAOYSA-N
XLogP5.77
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500295.79
LogP ≤ 55.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-naphthalen-1-yl-1,3-benzothiazole?
The IUPAC name of 4-chloro-2-naphthalen-1-yl-1,3-benzothiazole (CID 50850248) is 4-chloro-2-naphthalen-1-yl-1,3-benzothiazole.
What is the SMILES notation for 4-chloro-2-naphthalen-1-yl-1,3-benzothiazole?
The canonical SMILES for 4-chloro-2-naphthalen-1-yl-1,3-benzothiazole is Clc1cccc2sc(-c3cccc4ccccc34)nc12.
What is the InChIKey of 4-chloro-2-naphthalen-1-yl-1,3-benzothiazole?
The InChIKey is QODNHRCTAJSTCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10ClNS/c18-14-9-4-10-15-16(14)19-17(20-15)13-8-3-6-11-5-1-2-7-12(11)13/h1-10H.
What are the key properties of 4-chloro-2-naphthalen-1-yl-1,3-benzothiazole?
4-chloro-2-naphthalen-1-yl-1,3-benzothiazole has a molecular weight of 295.79 g/mol, XLogP of 5.77, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-naphthalen-1-yl-1,3-benzothiazole is sourced from PubChem (CID 50850248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).