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

C9H11NS — CID 89109120

IUPAC5-ethyl-2,3-dihydro-1,3-benzothiazole
SMILESCCc1ccc2c(c1)NCS2
InChIInChI=1S/C9H11NS/c1-2-7-3-4-9-8(5-7)10-6-11-9/h3-5,10H,2,6H2,1H3
InChIKeyFLCJIYUZDXXMKY-UHFFFAOYSA-N
MW165.26 g/mol
LogP2.72
Rot. Bonds1

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

5-ethyl-2,3-dihydro-1,3-benzothiazole (PubChem CID 89109120) has the molecular formula C9H11NS and a molecular weight of 165.26 g/mol. Its IUPAC name is 5-ethyl-2,3-dihydro-1,3-benzothiazole.

Molecular Properties

Compound Name5-ethyl-2,3-dihydro-1,3-benzothiazole
PubChem CID89109120
Molecular FormulaC9H11NS
Molecular Weight165.26 g/mol
Exact Mass165.06
IUPAC Name5-ethyl-2,3-dihydro-1,3-benzothiazole
SMILESCCc1ccc2c(c1)NCS2
InChIInChI=1S/C9H11NS/c1-2-7-3-4-9-8(5-7)10-6-11-9/h3-5,10H,2,6H2,1H3
InChIKeyFLCJIYUZDXXMKY-UHFFFAOYSA-N
XLogP2.72
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.26
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,3-dihydro-1,3-benzothiazol-6-ylmethylphosphane
CID 143467783
3,7-dihydro-2H-cyclohepta[f][1,3]benzothiazole;ethane
CID 143899852
6-ethyl-3-methyl-2,3-dihydro-1H-indole
CID 88995229
3-(3,4-dihydro-2H-1,4-benzothiazin-6-yl)-2,2-dimethylpropanenitrile
CID 116999263
3-(3,4-dihydro-2H-1,4-benzothiazin-6-yl)propane-1-thiol
CID 116999259
1-[1-(3,4-dihydro-2H-1,4-benzothiazin-6-ylmethyl)cyclobutyl]-N-methylmethanamine
CID 116999282
6-ethyl-4,4-dimethyl-2,3-dihydrothiochromene
CID 129069986
6-ethyl-3-methyl-2,4-dihydro-1,3-benzothiazine
CID 140990864
6-ethyl-3,4-dihydro-2H-thiochromen-3-amine
CID 82401614
7-ethyl-3,4-dihydro-2H-1,4-benzothiazine-3-carboxylic acid
CID 84624387
6-ethyl-2,3-dihydro-1,4-benzoxathiine
CID 89012903
4-(3,4-dihydro-2H-1,4-benzothiazin-6-ylmethyl)cyclohexan-1-ol
CID 116999268

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2,3-dihydro-1,3-benzothiazole?
The IUPAC name of 5-ethyl-2,3-dihydro-1,3-benzothiazole (CID 89109120) is 5-ethyl-2,3-dihydro-1,3-benzothiazole.
What is the SMILES notation for 5-ethyl-2,3-dihydro-1,3-benzothiazole?
The canonical SMILES for 5-ethyl-2,3-dihydro-1,3-benzothiazole is CCc1ccc2c(c1)NCS2.
What is the InChIKey of 5-ethyl-2,3-dihydro-1,3-benzothiazole?
The InChIKey is FLCJIYUZDXXMKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NS/c1-2-7-3-4-9-8(5-7)10-6-11-9/h3-5,10H,2,6H2,1H3.
What are the key properties of 5-ethyl-2,3-dihydro-1,3-benzothiazole?
5-ethyl-2,3-dihydro-1,3-benzothiazole has a molecular weight of 165.26 g/mol, XLogP of 2.72, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2,3-dihydro-1,3-benzothiazole is sourced from PubChem (CID 89109120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).