5-(2-methylmorpholin-4-yl)-1,3-benzothiazol-4-amine

C12H15N3OS — CID 43451171

IUPAC5-(2-methylmorpholin-4-yl)-1,3-benzothiazol-4-amine
SMILESCC1CN(c2ccc3scnc3c2N)CCO1
InChIInChI=1S/C12H15N3OS/c1-8-6-15(4-5-16-8)9-2-3-10-12(11(9)13)14-7-17-10/h2-3,7-8H,4-6,13H2,1H3
InChIKeyHAHBMEXDNLMLLO-UHFFFAOYSA-N
MW249.34 g/mol
LogP2.10
Rot. Bonds1

About 5-(2-methylmorpholin-4-yl)-1,3-benzothiazol-4-amine

5-(2-methylmorpholin-4-yl)-1,3-benzothiazol-4-amine (PubChem CID 43451171) has the molecular formula C12H15N3OS and a molecular weight of 249.34 g/mol. Its IUPAC name is 5-(2-methylmorpholin-4-yl)-1,3-benzothiazol-4-amine.

Molecular Properties

Compound Name5-(2-methylmorpholin-4-yl)-1,3-benzothiazol-4-amine
PubChem CID43451171
Molecular FormulaC12H15N3OS
Molecular Weight249.34 g/mol
Exact Mass249.09
IUPAC Name5-(2-methylmorpholin-4-yl)-1,3-benzothiazol-4-amine
SMILESCC1CN(c2ccc3scnc3c2N)CCO1
InChIInChI=1S/C12H15N3OS/c1-8-6-15(4-5-16-8)9-2-3-10-12(11(9)13)14-7-17-10/h2-3,7-8H,4-6,13H2,1H3
InChIKeyHAHBMEXDNLMLLO-UHFFFAOYSA-N
XLogP2.10
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.34
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(2-methylmorpholin-4-yl)-1,3-benzothiazol-4-amine?
The IUPAC name of 5-(2-methylmorpholin-4-yl)-1,3-benzothiazol-4-amine (CID 43451171) is 5-(2-methylmorpholin-4-yl)-1,3-benzothiazol-4-amine.
What is the SMILES notation for 5-(2-methylmorpholin-4-yl)-1,3-benzothiazol-4-amine?
The canonical SMILES for 5-(2-methylmorpholin-4-yl)-1,3-benzothiazol-4-amine is CC1CN(c2ccc3scnc3c2N)CCO1.
What is the InChIKey of 5-(2-methylmorpholin-4-yl)-1,3-benzothiazol-4-amine?
The InChIKey is HAHBMEXDNLMLLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3OS/c1-8-6-15(4-5-16-8)9-2-3-10-12(11(9)13)14-7-17-10/h2-3,7-8H,4-6,13H2,1H3.
What are the key properties of 5-(2-methylmorpholin-4-yl)-1,3-benzothiazol-4-amine?
5-(2-methylmorpholin-4-yl)-1,3-benzothiazol-4-amine has a molecular weight of 249.34 g/mol, XLogP of 2.10, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methylmorpholin-4-yl)-1,3-benzothiazol-4-amine is sourced from PubChem (CID 43451171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).