2-morpholin-4-yl-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,3-benzothiazole-6-carboxamide

C19H24N4O3S — CID 6620352

IUPAC2-morpholin-4-yl-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,3-benzothiazole-6-carboxamide
SMILESO=C(NCCCN1CCCC1=O)c1ccc2nc(N3CCOCC3)sc2c1
InChIInChI=1S/C19H24N4O3S/c24-17-3-1-7-22(17)8-2-6-20-18(25)14-4-5-15-16(13-14)27-19(21-15)23-9-11-26-12-10-23/h4-5,13H,1-3,6-12H2,(H,20,25)
InChIKeyVDHWDCMFOLGYOI-UHFFFAOYSA-N
MW388.49 g/mol
LogP1.88
Rot. Bonds6

About 2-morpholin-4-yl-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,3-benzothiazole-6-carboxamide

2-morpholin-4-yl-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,3-benzothiazole-6-carboxamide (PubChem CID 6620352) has the molecular formula C19H24N4O3S and a molecular weight of 388.49 g/mol. Its IUPAC name is 2-morpholin-4-yl-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,3-benzothiazole-6-carboxamide.

Molecular Properties

Compound Name2-morpholin-4-yl-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,3-benzothiazole-6-carboxamide
PubChem CID6620352
Molecular FormulaC19H24N4O3S
Molecular Weight388.49 g/mol
Exact Mass388.16
IUPAC Name2-morpholin-4-yl-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,3-benzothiazole-6-carboxamide
SMILESO=C(NCCCN1CCCC1=O)c1ccc2nc(N3CCOCC3)sc2c1
InChIInChI=1S/C19H24N4O3S/c24-17-3-1-7-22(17)8-2-6-20-18(25)14-4-5-15-16(13-14)27-19(21-15)23-9-11-26-12-10-23/h4-5,13H,1-3,6-12H2,(H,20,25)
InChIKeyVDHWDCMFOLGYOI-UHFFFAOYSA-N
XLogP1.88
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.49
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-morpholin-4-yl-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,3-benzothiazole-6-carboxamide?
The IUPAC name of 2-morpholin-4-yl-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,3-benzothiazole-6-carboxamide (CID 6620352) is 2-morpholin-4-yl-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,3-benzothiazole-6-carboxamide.
What is the SMILES notation for 2-morpholin-4-yl-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,3-benzothiazole-6-carboxamide?
The canonical SMILES for 2-morpholin-4-yl-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,3-benzothiazole-6-carboxamide is O=C(NCCCN1CCCC1=O)c1ccc2nc(N3CCOCC3)sc2c1.
What is the InChIKey of 2-morpholin-4-yl-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,3-benzothiazole-6-carboxamide?
The InChIKey is VDHWDCMFOLGYOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O3S/c24-17-3-1-7-22(17)8-2-6-20-18(25)14-4-5-15-16(13-14)27-19(21-15)23-9-11-26-12-10-23/h4-5,13H,1-3,6-12H2,(H,20,25).
What are the key properties of 2-morpholin-4-yl-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,3-benzothiazole-6-carboxamide?
2-morpholin-4-yl-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,3-benzothiazole-6-carboxamide has a molecular weight of 388.49 g/mol, XLogP of 1.88, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-morpholin-4-yl-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,3-benzothiazole-6-carboxamide is sourced from PubChem (CID 6620352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).