4-(6-amino-2-methyl-1,3-benzothiazol-5-yl)-N-methylmorpholine-3-carboxamide

C14H18N4O2S — CID 83097189

IUPAC4-(6-amino-2-methyl-1,3-benzothiazol-5-yl)-N-methylmorpholine-3-carboxamide
SMILESCNC(=O)C1COCCN1c1cc2nc(C)sc2cc1N
InChIInChI=1S/C14H18N4O2S/c1-8-17-10-6-11(9(15)5-13(10)21-8)18-3-4-20-7-12(18)14(19)16-2/h5-6,12H,3-4,7,15H2,1-2H3,(H,16,19)
InChIKeyKDZAPQAIUKYISB-UHFFFAOYSA-N
MW306.39 g/mol
LogP1.14
Rot. Bonds2

About 4-(6-amino-2-methyl-1,3-benzothiazol-5-yl)-N-methylmorpholine-3-carboxamide

4-(6-amino-2-methyl-1,3-benzothiazol-5-yl)-N-methylmorpholine-3-carboxamide (PubChem CID 83097189) has the molecular formula C14H18N4O2S and a molecular weight of 306.39 g/mol. Its IUPAC name is 4-(6-amino-2-methyl-1,3-benzothiazol-5-yl)-N-methylmorpholine-3-carboxamide.

Molecular Properties

Compound Name4-(6-amino-2-methyl-1,3-benzothiazol-5-yl)-N-methylmorpholine-3-carboxamide
PubChem CID83097189
Molecular FormulaC14H18N4O2S
Molecular Weight306.39 g/mol
Exact Mass306.12
IUPAC Name4-(6-amino-2-methyl-1,3-benzothiazol-5-yl)-N-methylmorpholine-3-carboxamide
SMILESCNC(=O)C1COCCN1c1cc2nc(C)sc2cc1N
InChIInChI=1S/C14H18N4O2S/c1-8-17-10-6-11(9(15)5-13(10)21-8)18-3-4-20-7-12(18)14(19)16-2/h5-6,12H,3-4,7,15H2,1-2H3,(H,16,19)
InChIKeyKDZAPQAIUKYISB-UHFFFAOYSA-N
XLogP1.14
TPSA80.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.39
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(6-amino-2-methyl-1,3-benzothiazol-5-yl)-N-methylmorpholine-3-carboxamide?
The IUPAC name of 4-(6-amino-2-methyl-1,3-benzothiazol-5-yl)-N-methylmorpholine-3-carboxamide (CID 83097189) is 4-(6-amino-2-methyl-1,3-benzothiazol-5-yl)-N-methylmorpholine-3-carboxamide.
What is the SMILES notation for 4-(6-amino-2-methyl-1,3-benzothiazol-5-yl)-N-methylmorpholine-3-carboxamide?
The canonical SMILES for 4-(6-amino-2-methyl-1,3-benzothiazol-5-yl)-N-methylmorpholine-3-carboxamide is CNC(=O)C1COCCN1c1cc2nc(C)sc2cc1N.
What is the InChIKey of 4-(6-amino-2-methyl-1,3-benzothiazol-5-yl)-N-methylmorpholine-3-carboxamide?
The InChIKey is KDZAPQAIUKYISB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2S/c1-8-17-10-6-11(9(15)5-13(10)21-8)18-3-4-20-7-12(18)14(19)16-2/h5-6,12H,3-4,7,15H2,1-2H3,(H,16,19).
What are the key properties of 4-(6-amino-2-methyl-1,3-benzothiazol-5-yl)-N-methylmorpholine-3-carboxamide?
4-(6-amino-2-methyl-1,3-benzothiazol-5-yl)-N-methylmorpholine-3-carboxamide has a molecular weight of 306.39 g/mol, XLogP of 1.14, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-amino-2-methyl-1,3-benzothiazol-5-yl)-N-methylmorpholine-3-carboxamide is sourced from PubChem (CID 83097189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).