5-methyl-N-[2-(oxan-2-yl)ethyl]-1,3-benzothiazol-2-amine

C15H20N2OS — CID 106000299

IUPAC5-methyl-N-[2-(oxan-2-yl)ethyl]-1,3-benzothiazol-2-amine
SMILESCc1ccc2sc(NCCC3CCCCO3)nc2c1
InChIInChI=1S/C15H20N2OS/c1-11-5-6-14-13(10-11)17-15(19-14)16-8-7-12-4-2-3-9-18-12/h5-6,10,12H,2-4,7-9H2,1H3,(H,16,17)
InChIKeyGHXFODRFOBIJSX-UHFFFAOYSA-N
MW276.40 g/mol
LogP3.98
Rot. Bonds4

About 5-methyl-N-[2-(oxan-2-yl)ethyl]-1,3-benzothiazol-2-amine

5-methyl-N-[2-(oxan-2-yl)ethyl]-1,3-benzothiazol-2-amine (PubChem CID 106000299) has the molecular formula C15H20N2OS and a molecular weight of 276.40 g/mol. Its IUPAC name is 5-methyl-N-[2-(oxan-2-yl)ethyl]-1,3-benzothiazol-2-amine.

Molecular Properties

Compound Name5-methyl-N-[2-(oxan-2-yl)ethyl]-1,3-benzothiazol-2-amine
PubChem CID106000299
Molecular FormulaC15H20N2OS
Molecular Weight276.40 g/mol
Exact Mass276.13
IUPAC Name5-methyl-N-[2-(oxan-2-yl)ethyl]-1,3-benzothiazol-2-amine
SMILESCc1ccc2sc(NCCC3CCCCO3)nc2c1
InChIInChI=1S/C15H20N2OS/c1-11-5-6-14-13(10-11)17-15(19-14)16-8-7-12-4-2-3-9-18-12/h5-6,10,12H,2-4,7-9H2,1H3,(H,16,17)
InChIKeyGHXFODRFOBIJSX-UHFFFAOYSA-N
XLogP3.98
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.40
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-methoxy-N-[2-(oxolan-2-yl)ethyl]-1,3-benzothiazol-2-amine
CID 79518210
5-methyl-N-(2-methyloxolan-3-yl)-1,3-benzothiazol-2-amine
CID 82728861
5-methyl-2-nitro-N-[2-(oxan-2-yl)ethyl]aniline
CID 103990775
6-methyl-N-[2-(1-methylpiperidin-4-yl)ethyl]-1,3-benzothiazol-2-amine
CID 114516288
5-methyl-N-[2-(oxolan-2-yl)ethyl]-1,3,4-thiadiazol-2-amine
CID 64915181
4-[(5-methyl-1,3-benzothiazol-2-yl)amino]butanamide
CID 60864154
6-chloro-N-(oxolan-2-ylmethyl)-1,3-benzothiazol-2-amine
CID 43969130
4-methyl-2-nitro-N-[2-(oxolan-2-yl)ethyl]aniline
CID 54916885
4-methyl-N-(oxan-2-ylmethyl)-1,3-benzothiazol-2-amine
CID 79146165
2,5-dimethyl-N-(oxan-2-ylmethyl)aniline
CID 43403445
6-methyl-N-(2-pyrrolidin-1-ylethyl)-1,3-benzothiazol-2-amine
CID 79142258
1-(2,5-dimethylphenyl)-N-[2-(oxolan-2-yl)ethyl]ethanamine
CID 54917016

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[2-(oxan-2-yl)ethyl]-1,3-benzothiazol-2-amine?
The IUPAC name of 5-methyl-N-[2-(oxan-2-yl)ethyl]-1,3-benzothiazol-2-amine (CID 106000299) is 5-methyl-N-[2-(oxan-2-yl)ethyl]-1,3-benzothiazol-2-amine.
What is the SMILES notation for 5-methyl-N-[2-(oxan-2-yl)ethyl]-1,3-benzothiazol-2-amine?
The canonical SMILES for 5-methyl-N-[2-(oxan-2-yl)ethyl]-1,3-benzothiazol-2-amine is Cc1ccc2sc(NCCC3CCCCO3)nc2c1.
What is the InChIKey of 5-methyl-N-[2-(oxan-2-yl)ethyl]-1,3-benzothiazol-2-amine?
The InChIKey is GHXFODRFOBIJSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2OS/c1-11-5-6-14-13(10-11)17-15(19-14)16-8-7-12-4-2-3-9-18-12/h5-6,10,12H,2-4,7-9H2,1H3,(H,16,17).
What are the key properties of 5-methyl-N-[2-(oxan-2-yl)ethyl]-1,3-benzothiazol-2-amine?
5-methyl-N-[2-(oxan-2-yl)ethyl]-1,3-benzothiazol-2-amine has a molecular weight of 276.40 g/mol, XLogP of 3.98, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[2-(oxan-2-yl)ethyl]-1,3-benzothiazol-2-amine is sourced from PubChem (CID 106000299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).