ethane;N-methyl-1-(2-methyl-1,3-benzothiazol-5-yl)methanamine

C12H18N2S — CID 162358300

IUPACethane;N-methyl-1-(2-methyl-1,3-benzothiazol-5-yl)methanamine
SMILESCC.CNCc1ccc2sc(C)nc2c1
InChIInChI=1S/C10H12N2S.C2H6/c1-7-12-9-5-8(6-11-2)3-4-10(9)13-7;1-2/h3-5,11H,6H2,1-2H3;1-2H3
InChIKeyLEVLMRZQJTVCGM-UHFFFAOYSA-N
MW222.36 g/mol
LogP3.35
Rot. Bonds2

About ethane;N-methyl-1-(2-methyl-1,3-benzothiazol-5-yl)methanamine

ethane;N-methyl-1-(2-methyl-1,3-benzothiazol-5-yl)methanamine (PubChem CID 162358300) has the molecular formula C12H18N2S and a molecular weight of 222.36 g/mol. Its IUPAC name is ethane;N-methyl-1-(2-methyl-1,3-benzothiazol-5-yl)methanamine.

Molecular Properties

Compound Nameethane;N-methyl-1-(2-methyl-1,3-benzothiazol-5-yl)methanamine
PubChem CID162358300
Molecular FormulaC12H18N2S
Molecular Weight222.36 g/mol
Exact Mass222.12
IUPAC Nameethane;N-methyl-1-(2-methyl-1,3-benzothiazol-5-yl)methanamine
SMILESCC.CNCc1ccc2sc(C)nc2c1
InChIInChI=1S/C10H12N2S.C2H6/c1-7-12-9-5-8(6-11-2)3-4-10(9)13-7;1-2/h3-5,11H,6H2,1-2H3;1-2H3
InChIKeyLEVLMRZQJTVCGM-UHFFFAOYSA-N
XLogP3.35
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.36
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethane;N-methyl-1-(2-methyl-1,3-benzothiazol-5-yl)methanamine?
The IUPAC name of ethane;N-methyl-1-(2-methyl-1,3-benzothiazol-5-yl)methanamine (CID 162358300) is ethane;N-methyl-1-(2-methyl-1,3-benzothiazol-5-yl)methanamine.
What is the SMILES notation for ethane;N-methyl-1-(2-methyl-1,3-benzothiazol-5-yl)methanamine?
The canonical SMILES for ethane;N-methyl-1-(2-methyl-1,3-benzothiazol-5-yl)methanamine is CC.CNCc1ccc2sc(C)nc2c1.
What is the InChIKey of ethane;N-methyl-1-(2-methyl-1,3-benzothiazol-5-yl)methanamine?
The InChIKey is LEVLMRZQJTVCGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2S.C2H6/c1-7-12-9-5-8(6-11-2)3-4-10(9)13-7;1-2/h3-5,11H,6H2,1-2H3;1-2H3.
What are the key properties of ethane;N-methyl-1-(2-methyl-1,3-benzothiazol-5-yl)methanamine?
ethane;N-methyl-1-(2-methyl-1,3-benzothiazol-5-yl)methanamine has a molecular weight of 222.36 g/mol, XLogP of 3.35, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-methyl-1-(2-methyl-1,3-benzothiazol-5-yl)methanamine is sourced from PubChem (CID 162358300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).