5-chloro-2-ethyl-1,3-benzothiazole

C9H8ClNS — CID 11287082

IUPAC5-chloro-2-ethyl-1,3-benzothiazole
SMILESCCc1nc2cc(Cl)ccc2s1
InChIInChI=1S/C9H8ClNS/c1-2-9-11-7-5-6(10)3-4-8(7)12-9/h3-5H,2H2,1H3
InChIKeyFHNDWGLSMGUUPO-UHFFFAOYSA-N
MW197.69 g/mol
LogP3.51
Rot. Bonds1

About 5-chloro-2-ethyl-1,3-benzothiazole

5-chloro-2-ethyl-1,3-benzothiazole (PubChem CID 11287082) has the molecular formula C9H8ClNS and a molecular weight of 197.69 g/mol. Its IUPAC name is 5-chloro-2-ethyl-1,3-benzothiazole.

Molecular Properties

Compound Name5-chloro-2-ethyl-1,3-benzothiazole
PubChem CID11287082
Molecular FormulaC9H8ClNS
Molecular Weight197.69 g/mol
Exact Mass197.01
IUPAC Name5-chloro-2-ethyl-1,3-benzothiazole
SMILESCCc1nc2cc(Cl)ccc2s1
InChIInChI=1S/C9H8ClNS/c1-2-9-11-7-5-6(10)3-4-8(7)12-9/h3-5H,2H2,1H3
InChIKeyFHNDWGLSMGUUPO-UHFFFAOYSA-N
XLogP3.51
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.69
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-ethyl-1,3-benzothiazole?
The IUPAC name of 5-chloro-2-ethyl-1,3-benzothiazole (CID 11287082) is 5-chloro-2-ethyl-1,3-benzothiazole.
What is the SMILES notation for 5-chloro-2-ethyl-1,3-benzothiazole?
The canonical SMILES for 5-chloro-2-ethyl-1,3-benzothiazole is CCc1nc2cc(Cl)ccc2s1.
What is the InChIKey of 5-chloro-2-ethyl-1,3-benzothiazole?
The InChIKey is FHNDWGLSMGUUPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClNS/c1-2-9-11-7-5-6(10)3-4-8(7)12-9/h3-5H,2H2,1H3.
What are the key properties of 5-chloro-2-ethyl-1,3-benzothiazole?
5-chloro-2-ethyl-1,3-benzothiazole has a molecular weight of 197.69 g/mol, XLogP of 3.51, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-ethyl-1,3-benzothiazole is sourced from PubChem (CID 11287082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).