(2-morpholin-4-yl-1,3-benzothiazol-6-yl)-pyrrolidin-1-ylmethanone

C16H19N3O2S — CID 5308716

IUPAC(2-morpholin-4-yl-1,3-benzothiazol-6-yl)-pyrrolidin-1-ylmethanone
SMILESO=C(c1ccc2nc(N3CCOCC3)sc2c1)N1CCCC1
InChIInChI=1S/C16H19N3O2S/c20-15(18-5-1-2-6-18)12-3-4-13-14(11-12)22-16(17-13)19-7-9-21-10-8-19/h3-4,11H,1-2,5-10H2
InChIKeyFTXKXSJUAYLXKT-UHFFFAOYSA-N
MW317.41 g/mol
LogP2.37
Rot. Bonds2

About (2-morpholin-4-yl-1,3-benzothiazol-6-yl)-pyrrolidin-1-ylmethanone

(2-morpholin-4-yl-1,3-benzothiazol-6-yl)-pyrrolidin-1-ylmethanone (PubChem CID 5308716) has the molecular formula C16H19N3O2S and a molecular weight of 317.41 g/mol. Its IUPAC name is (2-morpholin-4-yl-1,3-benzothiazol-6-yl)-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name(2-morpholin-4-yl-1,3-benzothiazol-6-yl)-pyrrolidin-1-ylmethanone
PubChem CID5308716
Molecular FormulaC16H19N3O2S
Molecular Weight317.41 g/mol
Exact Mass317.12
IUPAC Name(2-morpholin-4-yl-1,3-benzothiazol-6-yl)-pyrrolidin-1-ylmethanone
SMILESO=C(c1ccc2nc(N3CCOCC3)sc2c1)N1CCCC1
InChIInChI=1S/C16H19N3O2S/c20-15(18-5-1-2-6-18)12-3-4-13-14(11-12)22-16(17-13)19-7-9-21-10-8-19/h3-4,11H,1-2,5-10H2
InChIKeyFTXKXSJUAYLXKT-UHFFFAOYSA-N
XLogP2.37
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.41
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2-morpholin-4-yl-1,3-benzothiazol-6-yl)-pyrrolidin-1-ylmethanone?
The IUPAC name of (2-morpholin-4-yl-1,3-benzothiazol-6-yl)-pyrrolidin-1-ylmethanone (CID 5308716) is (2-morpholin-4-yl-1,3-benzothiazol-6-yl)-pyrrolidin-1-ylmethanone.
What is the SMILES notation for (2-morpholin-4-yl-1,3-benzothiazol-6-yl)-pyrrolidin-1-ylmethanone?
The canonical SMILES for (2-morpholin-4-yl-1,3-benzothiazol-6-yl)-pyrrolidin-1-ylmethanone is O=C(c1ccc2nc(N3CCOCC3)sc2c1)N1CCCC1.
What is the InChIKey of (2-morpholin-4-yl-1,3-benzothiazol-6-yl)-pyrrolidin-1-ylmethanone?
The InChIKey is FTXKXSJUAYLXKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2S/c20-15(18-5-1-2-6-18)12-3-4-13-14(11-12)22-16(17-13)19-7-9-21-10-8-19/h3-4,11H,1-2,5-10H2.
What are the key properties of (2-morpholin-4-yl-1,3-benzothiazol-6-yl)-pyrrolidin-1-ylmethanone?
(2-morpholin-4-yl-1,3-benzothiazol-6-yl)-pyrrolidin-1-ylmethanone has a molecular weight of 317.41 g/mol, XLogP of 2.37, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-morpholin-4-yl-1,3-benzothiazol-6-yl)-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 5308716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).