ethane;2-methyl-5,6-dihydro-1,3-benzothiazole

C10H15NS — CID 143098239

IUPACethane;2-methyl-5,6-dihydro-1,3-benzothiazole
SMILESCC.Cc1nc2c(s1)=CCCC=2
InChIInChI=1S/C8H9NS.C2H6/c1-6-9-7-4-2-3-5-8(7)10-6;1-2/h4-5H,2-3H2,1H3;1-2H3
InChIKeyVARADQKIGXTPAN-UHFFFAOYSA-N
MW181.30 g/mol
LogP1.83
Rot. Bonds

About ethane;2-methyl-5,6-dihydro-1,3-benzothiazole

ethane;2-methyl-5,6-dihydro-1,3-benzothiazole (PubChem CID 143098239) has the molecular formula C10H15NS and a molecular weight of 181.30 g/mol. Its IUPAC name is ethane;2-methyl-5,6-dihydro-1,3-benzothiazole.

Molecular Properties

Compound Nameethane;2-methyl-5,6-dihydro-1,3-benzothiazole
PubChem CID143098239
Molecular FormulaC10H15NS
Molecular Weight181.30 g/mol
Exact Mass181.09
IUPAC Nameethane;2-methyl-5,6-dihydro-1,3-benzothiazole
SMILESCC.Cc1nc2c(s1)=CCCC=2
InChIInChI=1S/C8H9NS.C2H6/c1-6-9-7-4-2-3-5-8(7)10-6;1-2/h4-5H,2-3H2,1H3;1-2H3
InChIKeyVARADQKIGXTPAN-UHFFFAOYSA-N
XLogP1.83
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.30
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;2-methyl-5,6-dihydro-1,3-benzothiazole?
The IUPAC name of ethane;2-methyl-5,6-dihydro-1,3-benzothiazole (CID 143098239) is ethane;2-methyl-5,6-dihydro-1,3-benzothiazole.
What is the SMILES notation for ethane;2-methyl-5,6-dihydro-1,3-benzothiazole?
The canonical SMILES for ethane;2-methyl-5,6-dihydro-1,3-benzothiazole is CC.Cc1nc2c(s1)=CCCC=2.
What is the InChIKey of ethane;2-methyl-5,6-dihydro-1,3-benzothiazole?
The InChIKey is VARADQKIGXTPAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NS.C2H6/c1-6-9-7-4-2-3-5-8(7)10-6;1-2/h4-5H,2-3H2,1H3;1-2H3.
What are the key properties of ethane;2-methyl-5,6-dihydro-1,3-benzothiazole?
ethane;2-methyl-5,6-dihydro-1,3-benzothiazole has a molecular weight of 181.30 g/mol, XLogP of 1.83, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-methyl-5,6-dihydro-1,3-benzothiazole is sourced from PubChem (CID 143098239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).