N-(2-methoxyethyl)-6-methyl-1,3-benzothiazol-2-amine

C11H14N2OS — CID 78908863

IUPACN-(2-methoxyethyl)-6-methyl-1,3-benzothiazol-2-amine
SMILESCOCCNc1nc2ccc(C)cc2s1
InChIInChI=1S/C11H14N2OS/c1-8-3-4-9-10(7-8)15-11(13-9)12-5-6-14-2/h3-4,7H,5-6H2,1-2H3,(H,12,13)
InChIKeySRLJZTIOTJHEQG-UHFFFAOYSA-N
MW222.31 g/mol
LogP2.66
Rot. Bonds4

About N-(2-methoxyethyl)-6-methyl-1,3-benzothiazol-2-amine

N-(2-methoxyethyl)-6-methyl-1,3-benzothiazol-2-amine (PubChem CID 78908863) has the molecular formula C11H14N2OS and a molecular weight of 222.31 g/mol. Its IUPAC name is N-(2-methoxyethyl)-6-methyl-1,3-benzothiazol-2-amine.

Molecular Properties

Compound NameN-(2-methoxyethyl)-6-methyl-1,3-benzothiazol-2-amine
PubChem CID78908863
Molecular FormulaC11H14N2OS
Molecular Weight222.31 g/mol
Exact Mass222.08
IUPAC NameN-(2-methoxyethyl)-6-methyl-1,3-benzothiazol-2-amine
SMILESCOCCNc1nc2ccc(C)cc2s1
InChIInChI=1S/C11H14N2OS/c1-8-3-4-9-10(7-8)15-11(13-9)12-5-6-14-2/h3-4,7H,5-6H2,1-2H3,(H,12,13)
InChIKeySRLJZTIOTJHEQG-UHFFFAOYSA-N
XLogP2.66
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.31
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-methyl-N-pentyl-1,3-benzothiazol-2-amine
CID 79142327
N'-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)-N'-propan-2-ylethane-1,2-diamine
CID 79142175
6-methyl-N-(3-methylsulfanylpropyl)-1,3-benzothiazol-2-amine
CID 79142262
N',N'-dimethyl-N-(6-methyl-1,3-benzothiazol-2-yl)butane-1,4-diamine
CID 79142843
6-fluoro-N-[2-(2-methoxyethoxy)ethyl]-1,3-benzothiazol-2-amine
CID 79144140
6-methyl-N-(2-pyrrolidin-1-ylethyl)-1,3-benzothiazol-2-amine
CID 79142258
N-[2-[(6-methyl-1,3-benzothiazol-2-yl)amino]ethyl]acetamide
CID 79143005
4-[(6-methyl-1,3-benzothiazol-2-yl)amino]butanoic acid
CID 82192999
N-(1-methoxybutan-2-yl)-6-methyl-1,3-benzothiazol-2-amine
CID 79143101
6-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]-1,3-benzothiazol-2-amine
CID 79142765
6-methyl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1,3-benzothiazol-2-amine
CID 106419883
6-methyl-N-(3-phenylbutyl)-1,3-benzothiazol-2-amine
CID 79126739

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-6-methyl-1,3-benzothiazol-2-amine?
The IUPAC name of N-(2-methoxyethyl)-6-methyl-1,3-benzothiazol-2-amine (CID 78908863) is N-(2-methoxyethyl)-6-methyl-1,3-benzothiazol-2-amine.
What is the SMILES notation for N-(2-methoxyethyl)-6-methyl-1,3-benzothiazol-2-amine?
The canonical SMILES for N-(2-methoxyethyl)-6-methyl-1,3-benzothiazol-2-amine is COCCNc1nc2ccc(C)cc2s1.
What is the InChIKey of N-(2-methoxyethyl)-6-methyl-1,3-benzothiazol-2-amine?
The InChIKey is SRLJZTIOTJHEQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2OS/c1-8-3-4-9-10(7-8)15-11(13-9)12-5-6-14-2/h3-4,7H,5-6H2,1-2H3,(H,12,13).
What are the key properties of N-(2-methoxyethyl)-6-methyl-1,3-benzothiazol-2-amine?
N-(2-methoxyethyl)-6-methyl-1,3-benzothiazol-2-amine has a molecular weight of 222.31 g/mol, XLogP of 2.66, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-6-methyl-1,3-benzothiazol-2-amine is sourced from PubChem (CID 78908863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).