N-(2-methoxyethyl)-N-methyl-2-propan-2-yl-1,3-benzothiazol-7-amine

C14H20N2OS — CID 171441127

IUPACN-(2-methoxyethyl)-N-methyl-2-propan-2-yl-1,3-benzothiazol-7-amine
SMILESCOCCN(C)c1cccc2nc(C(C)C)sc12
InChIInChI=1S/C14H20N2OS/c1-10(2)14-15-11-6-5-7-12(13(11)18-14)16(3)8-9-17-4/h5-7,10H,8-9H2,1-4H3
InChIKeyUUWSAQAJFDGXGG-UHFFFAOYSA-N
MW264.39 g/mol
LogP3.50
Rot. Bonds5

About N-(2-methoxyethyl)-N-methyl-2-propan-2-yl-1,3-benzothiazol-7-amine

N-(2-methoxyethyl)-N-methyl-2-propan-2-yl-1,3-benzothiazol-7-amine (PubChem CID 171441127) has the molecular formula C14H20N2OS and a molecular weight of 264.39 g/mol. Its IUPAC name is N-(2-methoxyethyl)-N-methyl-2-propan-2-yl-1,3-benzothiazol-7-amine.

Molecular Properties

Compound NameN-(2-methoxyethyl)-N-methyl-2-propan-2-yl-1,3-benzothiazol-7-amine
PubChem CID171441127
Molecular FormulaC14H20N2OS
Molecular Weight264.39 g/mol
Exact Mass264.13
IUPAC NameN-(2-methoxyethyl)-N-methyl-2-propan-2-yl-1,3-benzothiazol-7-amine
SMILESCOCCN(C)c1cccc2nc(C(C)C)sc12
InChIInChI=1S/C14H20N2OS/c1-10(2)14-15-11-6-5-7-12(13(11)18-14)16(3)8-9-17-4/h5-7,10H,8-9H2,1-4H3
InChIKeyUUWSAQAJFDGXGG-UHFFFAOYSA-N
XLogP3.50
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.39
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-N-methyl-2-propan-2-yl-1,3-benzothiazol-7-amine?
The IUPAC name of N-(2-methoxyethyl)-N-methyl-2-propan-2-yl-1,3-benzothiazol-7-amine (CID 171441127) is N-(2-methoxyethyl)-N-methyl-2-propan-2-yl-1,3-benzothiazol-7-amine.
What is the SMILES notation for N-(2-methoxyethyl)-N-methyl-2-propan-2-yl-1,3-benzothiazol-7-amine?
The canonical SMILES for N-(2-methoxyethyl)-N-methyl-2-propan-2-yl-1,3-benzothiazol-7-amine is COCCN(C)c1cccc2nc(C(C)C)sc12.
What is the InChIKey of N-(2-methoxyethyl)-N-methyl-2-propan-2-yl-1,3-benzothiazol-7-amine?
The InChIKey is UUWSAQAJFDGXGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2OS/c1-10(2)14-15-11-6-5-7-12(13(11)18-14)16(3)8-9-17-4/h5-7,10H,8-9H2,1-4H3.
What are the key properties of N-(2-methoxyethyl)-N-methyl-2-propan-2-yl-1,3-benzothiazol-7-amine?
N-(2-methoxyethyl)-N-methyl-2-propan-2-yl-1,3-benzothiazol-7-amine has a molecular weight of 264.39 g/mol, XLogP of 3.50, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-N-methyl-2-propan-2-yl-1,3-benzothiazol-7-amine is sourced from PubChem (CID 171441127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).