(3S)-N-(1,3-benzothiazol-2-yl)-4-benzyl-5-oxomorpholine-3-carboxamide

C19H17N3O3S — CID 95368623

IUPAC(3S)-N-(1,3-benzothiazol-2-yl)-4-benzyl-5-oxomorpholine-3-carboxamide
SMILESO=C(Nc1nc2ccccc2s1)[C@@H]1COCC(=O)N1Cc1ccccc1
InChIInChI=1S/C19H17N3O3S/c23-17-12-25-11-15(22(17)10-13-6-2-1-3-7-13)18(24)21-19-20-14-8-4-5-9-16(14)26-19/h1-9,15H,10-12H2,(H,20,21,24)/t15-/m0/s1
InChIKeyJLILSGCSNDNADK-HNNXBMFYSA-N
MW367.43 g/mol
LogP2.66
Rot. Bonds4

About (3S)-N-(1,3-benzothiazol-2-yl)-4-benzyl-5-oxomorpholine-3-carboxamide

(3S)-N-(1,3-benzothiazol-2-yl)-4-benzyl-5-oxomorpholine-3-carboxamide (PubChem CID 95368623) has the molecular formula C19H17N3O3S and a molecular weight of 367.43 g/mol. Its IUPAC name is (3S)-N-(1,3-benzothiazol-2-yl)-4-benzyl-5-oxomorpholine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-(1,3-benzothiazol-2-yl)-4-benzyl-5-oxomorpholine-3-carboxamide
PubChem CID95368623
Molecular FormulaC19H17N3O3S
Molecular Weight367.43 g/mol
Exact Mass367.10
IUPAC Name(3S)-N-(1,3-benzothiazol-2-yl)-4-benzyl-5-oxomorpholine-3-carboxamide
SMILESO=C(Nc1nc2ccccc2s1)[C@@H]1COCC(=O)N1Cc1ccccc1
InChIInChI=1S/C19H17N3O3S/c23-17-12-25-11-15(22(17)10-13-6-2-1-3-7-13)18(24)21-19-20-14-8-4-5-9-16(14)26-19/h1-9,15H,10-12H2,(H,20,21,24)/t15-/m0/s1
InChIKeyJLILSGCSNDNADK-HNNXBMFYSA-N
XLogP2.66
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.43
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3S)-N-(1,3-benzothiazol-2-yl)-4-benzyl-5-oxomorpholine-3-carboxamide?
The IUPAC name of (3S)-N-(1,3-benzothiazol-2-yl)-4-benzyl-5-oxomorpholine-3-carboxamide (CID 95368623) is (3S)-N-(1,3-benzothiazol-2-yl)-4-benzyl-5-oxomorpholine-3-carboxamide.
What is the SMILES notation for (3S)-N-(1,3-benzothiazol-2-yl)-4-benzyl-5-oxomorpholine-3-carboxamide?
The canonical SMILES for (3S)-N-(1,3-benzothiazol-2-yl)-4-benzyl-5-oxomorpholine-3-carboxamide is O=C(Nc1nc2ccccc2s1)[C@@H]1COCC(=O)N1Cc1ccccc1.
What is the InChIKey of (3S)-N-(1,3-benzothiazol-2-yl)-4-benzyl-5-oxomorpholine-3-carboxamide?
The InChIKey is JLILSGCSNDNADK-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H17N3O3S/c23-17-12-25-11-15(22(17)10-13-6-2-1-3-7-13)18(24)21-19-20-14-8-4-5-9-16(14)26-19/h1-9,15H,10-12H2,(H,20,21,24)/t15-/m0/s1.
What are the key properties of (3S)-N-(1,3-benzothiazol-2-yl)-4-benzyl-5-oxomorpholine-3-carboxamide?
(3S)-N-(1,3-benzothiazol-2-yl)-4-benzyl-5-oxomorpholine-3-carboxamide has a molecular weight of 367.43 g/mol, XLogP of 2.66, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-(1,3-benzothiazol-2-yl)-4-benzyl-5-oxomorpholine-3-carboxamide is sourced from PubChem (CID 95368623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).