ethane;2-ethyl-2,3-dihydro-1,3-benzothiazole

C11H17NS — CID 142049429

IUPACethane;2-ethyl-2,3-dihydro-1,3-benzothiazole
SMILESCC.CCC1Nc2ccccc2S1
InChIInChI=1S/C9H11NS.C2H6/c1-2-9-10-7-5-3-4-6-8(7)11-9;1-2/h3-6,9-10H,2H2,1H3;1-2H3
InChIKeyYMAWIDZBXLNHAJ-UHFFFAOYSA-N
MW195.33 g/mol
LogP3.97
Rot. Bonds1

About ethane;2-ethyl-2,3-dihydro-1,3-benzothiazole

ethane;2-ethyl-2,3-dihydro-1,3-benzothiazole (PubChem CID 142049429) has the molecular formula C11H17NS and a molecular weight of 195.33 g/mol. Its IUPAC name is ethane;2-ethyl-2,3-dihydro-1,3-benzothiazole.

Molecular Properties

Compound Nameethane;2-ethyl-2,3-dihydro-1,3-benzothiazole
PubChem CID142049429
Molecular FormulaC11H17NS
Molecular Weight195.33 g/mol
Exact Mass195.11
IUPAC Nameethane;2-ethyl-2,3-dihydro-1,3-benzothiazole
SMILESCC.CCC1Nc2ccccc2S1
InChIInChI=1S/C9H11NS.C2H6/c1-2-9-10-7-5-3-4-6-8(7)11-9;1-2/h3-6,9-10H,2H2,1H3;1-2H3
InChIKeyYMAWIDZBXLNHAJ-UHFFFAOYSA-N
XLogP3.97
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.33
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

ethane;2-methyl-2,3-dihydro-1,3-benzothiazole
CID 145235335
2-(2,3-dihydro-1,3-benzothiazol-2-yl)acetic acid
CID 154116351
2-(2,3-dihydro-1,3-benzothiazol-2-yldisulfanyl)-2,3-dihydro-1,3-benzothiazole;ethane
CID 91078039
N,N-dimethyl-2,3-dihydro-1,3-benzothiazol-2-amine
CID 146243816
(2S)-2-[(2R)-2,3-dihydro-1,3-benzothiazol-2-yl]-2,3-dihydro-1,3-benzothiazole
CID 92543565
(2R)-2-phenyl-2,3-dihydro-1,3-benzothiazole
CID 92935373
4-(2,3-dihydro-1,3-benzothiazol-2-yl)-N,N-diethylaniline
CID 4168985
bis(2,3-dihydro-1,3-benzothiazol-2-yl)methanethione
CID 175478062
2-methyl-4H-1,4-benzothiazin-3-one;propane
CID 143681564
1-(2,3-dihydro-1,3-benzothiazol-2-yl)-2,2-dimethylpropan-1-one
CID 140594652
(2R)-2-naphthalen-1-yl-2,3-dihydro-1,3-benzothiazole
CID 102081822
5-(2,3-dihydro-1,3-benzothiazol-2-yl)-1,3-diethyl-2-sulfanylidene-1,3-diazinane-4,6-dione
CID 58971888

Frequently Asked Questions

What is the IUPAC name of ethane;2-ethyl-2,3-dihydro-1,3-benzothiazole?
The IUPAC name of ethane;2-ethyl-2,3-dihydro-1,3-benzothiazole (CID 142049429) is ethane;2-ethyl-2,3-dihydro-1,3-benzothiazole.
What is the SMILES notation for ethane;2-ethyl-2,3-dihydro-1,3-benzothiazole?
The canonical SMILES for ethane;2-ethyl-2,3-dihydro-1,3-benzothiazole is CC.CCC1Nc2ccccc2S1.
What is the InChIKey of ethane;2-ethyl-2,3-dihydro-1,3-benzothiazole?
The InChIKey is YMAWIDZBXLNHAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NS.C2H6/c1-2-9-10-7-5-3-4-6-8(7)11-9;1-2/h3-6,9-10H,2H2,1H3;1-2H3.
What are the key properties of ethane;2-ethyl-2,3-dihydro-1,3-benzothiazole?
ethane;2-ethyl-2,3-dihydro-1,3-benzothiazole has a molecular weight of 195.33 g/mol, XLogP of 3.97, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-ethyl-2,3-dihydro-1,3-benzothiazole is sourced from PubChem (CID 142049429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).