ethane;N-methyl-2,3-dihydro-1,3-benzothiazol-6-amine

C10H16N2S — CID 143142470

IUPACethane;N-methyl-2,3-dihydro-1,3-benzothiazol-6-amine
SMILESCC.CNc1ccc2c(c1)SCN2
InChIInChI=1S/C8H10N2S.C2H6/c1-9-6-2-3-7-8(4-6)11-5-10-7;1-2/h2-4,9-10H,5H2,1H3;1-2H3
InChIKeyMLHQJTKFBZSWBM-UHFFFAOYSA-N
MW196.32 g/mol
LogP3.23
Rot. Bonds1

About ethane;N-methyl-2,3-dihydro-1,3-benzothiazol-6-amine

ethane;N-methyl-2,3-dihydro-1,3-benzothiazol-6-amine (PubChem CID 143142470) has the molecular formula C10H16N2S and a molecular weight of 196.32 g/mol. Its IUPAC name is ethane;N-methyl-2,3-dihydro-1,3-benzothiazol-6-amine.

Molecular Properties

Compound Nameethane;N-methyl-2,3-dihydro-1,3-benzothiazol-6-amine
PubChem CID143142470
Molecular FormulaC10H16N2S
Molecular Weight196.32 g/mol
Exact Mass196.10
IUPAC Nameethane;N-methyl-2,3-dihydro-1,3-benzothiazol-6-amine
SMILESCC.CNc1ccc2c(c1)SCN2
InChIInChI=1S/C8H10N2S.C2H6/c1-9-6-2-3-7-8(4-6)11-5-10-7;1-2/h2-4,9-10H,5H2,1H3;1-2H3
InChIKeyMLHQJTKFBZSWBM-UHFFFAOYSA-N
XLogP3.23
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.32
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethane;N-methyl-2,3-dihydro-1,3-benzothiazol-6-amine?
The IUPAC name of ethane;N-methyl-2,3-dihydro-1,3-benzothiazol-6-amine (CID 143142470) is ethane;N-methyl-2,3-dihydro-1,3-benzothiazol-6-amine.
What is the SMILES notation for ethane;N-methyl-2,3-dihydro-1,3-benzothiazol-6-amine?
The canonical SMILES for ethane;N-methyl-2,3-dihydro-1,3-benzothiazol-6-amine is CC.CNc1ccc2c(c1)SCN2.
What is the InChIKey of ethane;N-methyl-2,3-dihydro-1,3-benzothiazol-6-amine?
The InChIKey is MLHQJTKFBZSWBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2S.C2H6/c1-9-6-2-3-7-8(4-6)11-5-10-7;1-2/h2-4,9-10H,5H2,1H3;1-2H3.
What are the key properties of ethane;N-methyl-2,3-dihydro-1,3-benzothiazol-6-amine?
ethane;N-methyl-2,3-dihydro-1,3-benzothiazol-6-amine has a molecular weight of 196.32 g/mol, XLogP of 3.23, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-methyl-2,3-dihydro-1,3-benzothiazol-6-amine is sourced from PubChem (CID 143142470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).