N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-2-morpholin-4-ylacetamide

C14H21N3O2S — CID 2945912

IUPACN-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-2-morpholin-4-ylacetamide
SMILESCC1CCc2nc(NC(=O)CN3CCOCC3)sc2C1
InChIInChI=1S/C14H21N3O2S/c1-10-2-3-11-12(8-10)20-14(15-11)16-13(18)9-17-4-6-19-7-5-17/h10H,2-9H2,1H3,(H,15,16,18)
InChIKeyQTBUXILHWPVLME-UHFFFAOYSA-N
MW295.41 g/mol
LogP1.54
Rot. Bonds3

About N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-2-morpholin-4-ylacetamide

N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-2-morpholin-4-ylacetamide (PubChem CID 2945912) has the molecular formula C14H21N3O2S and a molecular weight of 295.41 g/mol. Its IUPAC name is N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-2-morpholin-4-ylacetamide.

Molecular Properties

Compound NameN-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-2-morpholin-4-ylacetamide
PubChem CID2945912
Molecular FormulaC14H21N3O2S
Molecular Weight295.41 g/mol
Exact Mass295.14
IUPAC NameN-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-2-morpholin-4-ylacetamide
SMILESCC1CCc2nc(NC(=O)CN3CCOCC3)sc2C1
InChIInChI=1S/C14H21N3O2S/c1-10-2-3-11-12(8-10)20-14(15-11)16-13(18)9-17-4-6-19-7-5-17/h10H,2-9H2,1H3,(H,15,16,18)
InChIKeyQTBUXILHWPVLME-UHFFFAOYSA-N
XLogP1.54
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.41
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-2-morpholin-4-ylacetamide?
The IUPAC name of N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-2-morpholin-4-ylacetamide (CID 2945912) is N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-2-morpholin-4-ylacetamide.
What is the SMILES notation for N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-2-morpholin-4-ylacetamide?
The canonical SMILES for N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-2-morpholin-4-ylacetamide is CC1CCc2nc(NC(=O)CN3CCOCC3)sc2C1.
What is the InChIKey of N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-2-morpholin-4-ylacetamide?
The InChIKey is QTBUXILHWPVLME-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2S/c1-10-2-3-11-12(8-10)20-14(15-11)16-13(18)9-17-4-6-19-7-5-17/h10H,2-9H2,1H3,(H,15,16,18).
What are the key properties of N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-2-morpholin-4-ylacetamide?
N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-2-morpholin-4-ylacetamide has a molecular weight of 295.41 g/mol, XLogP of 1.54, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-2-morpholin-4-ylacetamide is sourced from PubChem (CID 2945912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).