2-(1,3-benzothiazol-2-yl)-2-[(3S)-3-methylmorpholin-4-yl]acetamide

C14H17N3O2S — CID 67455232

IUPAC2-(1,3-benzothiazol-2-yl)-2-[(3S)-3-methylmorpholin-4-yl]acetamide
SMILESC[C@H]1COCCN1C(C(N)=O)c1nc2ccccc2s1
InChIInChI=1S/C14H17N3O2S/c1-9-8-19-7-6-17(9)12(13(15)18)14-16-10-4-2-3-5-11(10)20-14/h2-5,9,12H,6-8H2,1H3,(H2,15,18)/t9-,12?/m0/s1
InChIKeyAWVGUMBENIADQW-QHGLUPRGSA-N
MW291.38 g/mol
LogP1.54
Rot. Bonds3

About 2-(1,3-benzothiazol-2-yl)-2-[(3S)-3-methylmorpholin-4-yl]acetamide

2-(1,3-benzothiazol-2-yl)-2-[(3S)-3-methylmorpholin-4-yl]acetamide (PubChem CID 67455232) has the molecular formula C14H17N3O2S and a molecular weight of 291.38 g/mol. Its IUPAC name is 2-(1,3-benzothiazol-2-yl)-2-[(3S)-3-methylmorpholin-4-yl]acetamide.

Molecular Properties

Compound Name2-(1,3-benzothiazol-2-yl)-2-[(3S)-3-methylmorpholin-4-yl]acetamide
PubChem CID67455232
Molecular FormulaC14H17N3O2S
Molecular Weight291.38 g/mol
Exact Mass291.10
IUPAC Name2-(1,3-benzothiazol-2-yl)-2-[(3S)-3-methylmorpholin-4-yl]acetamide
SMILESC[C@H]1COCCN1C(C(N)=O)c1nc2ccccc2s1
InChIInChI=1S/C14H17N3O2S/c1-9-8-19-7-6-17(9)12(13(15)18)14-16-10-4-2-3-5-11(10)20-14/h2-5,9,12H,6-8H2,1H3,(H2,15,18)/t9-,12?/m0/s1
InChIKeyAWVGUMBENIADQW-QHGLUPRGSA-N
XLogP1.54
TPSA68.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.38
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzothiazol-2-yl)-2-[(3S)-3-methylmorpholin-4-yl]acetamide?
The IUPAC name of 2-(1,3-benzothiazol-2-yl)-2-[(3S)-3-methylmorpholin-4-yl]acetamide (CID 67455232) is 2-(1,3-benzothiazol-2-yl)-2-[(3S)-3-methylmorpholin-4-yl]acetamide.
What is the SMILES notation for 2-(1,3-benzothiazol-2-yl)-2-[(3S)-3-methylmorpholin-4-yl]acetamide?
The canonical SMILES for 2-(1,3-benzothiazol-2-yl)-2-[(3S)-3-methylmorpholin-4-yl]acetamide is C[C@H]1COCCN1C(C(N)=O)c1nc2ccccc2s1.
What is the InChIKey of 2-(1,3-benzothiazol-2-yl)-2-[(3S)-3-methylmorpholin-4-yl]acetamide?
The InChIKey is AWVGUMBENIADQW-QHGLUPRGSA-N. The full InChI is InChI=1S/C14H17N3O2S/c1-9-8-19-7-6-17(9)12(13(15)18)14-16-10-4-2-3-5-11(10)20-14/h2-5,9,12H,6-8H2,1H3,(H2,15,18)/t9-,12?/m0/s1.
What are the key properties of 2-(1,3-benzothiazol-2-yl)-2-[(3S)-3-methylmorpholin-4-yl]acetamide?
2-(1,3-benzothiazol-2-yl)-2-[(3S)-3-methylmorpholin-4-yl]acetamide has a molecular weight of 291.38 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 2-(1,3-benzothiazol-2-yl)-2-[(3S)-3-methylmorpholin-4-yl]acetamide is sourced from PubChem (CID 67455232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).