[5-(1,3-benzothiazol-2-yl)thiophen-2-yl]-morpholin-4-ylmethanone

C16H14N2O2S2 — CID 2468834

IUPAC[5-(1,3-benzothiazol-2-yl)thiophen-2-yl]-morpholin-4-ylmethanone
SMILESO=C(c1ccc(-c2nc3ccccc3s2)s1)N1CCOCC1
InChIInChI=1S/C16H14N2O2S2/c19-16(18-7-9-20-10-8-18)14-6-5-13(21-14)15-17-11-3-1-2-4-12(11)22-15/h1-6H,7-10H2
InChIKeyLWNDVGCPPAOGCG-UHFFFAOYSA-N
MW330.43 g/mol
LogP3.50
Rot. Bonds2

About [5-(1,3-benzothiazol-2-yl)thiophen-2-yl]-morpholin-4-ylmethanone

[5-(1,3-benzothiazol-2-yl)thiophen-2-yl]-morpholin-4-ylmethanone (PubChem CID 2468834) has the molecular formula C16H14N2O2S2 and a molecular weight of 330.43 g/mol. Its IUPAC name is [5-(1,3-benzothiazol-2-yl)thiophen-2-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[5-(1,3-benzothiazol-2-yl)thiophen-2-yl]-morpholin-4-ylmethanone
PubChem CID2468834
Molecular FormulaC16H14N2O2S2
Molecular Weight330.43 g/mol
Exact Mass330.05
IUPAC Name[5-(1,3-benzothiazol-2-yl)thiophen-2-yl]-morpholin-4-ylmethanone
SMILESO=C(c1ccc(-c2nc3ccccc3s2)s1)N1CCOCC1
InChIInChI=1S/C16H14N2O2S2/c19-16(18-7-9-20-10-8-18)14-6-5-13(21-14)15-17-11-3-1-2-4-12(11)22-15/h1-6H,7-10H2
InChIKeyLWNDVGCPPAOGCG-UHFFFAOYSA-N
XLogP3.50
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [5-(1,3-benzothiazol-2-yl)thiophen-2-yl]-morpholin-4-ylmethanone?
The IUPAC name of [5-(1,3-benzothiazol-2-yl)thiophen-2-yl]-morpholin-4-ylmethanone (CID 2468834) is [5-(1,3-benzothiazol-2-yl)thiophen-2-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [5-(1,3-benzothiazol-2-yl)thiophen-2-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [5-(1,3-benzothiazol-2-yl)thiophen-2-yl]-morpholin-4-ylmethanone is O=C(c1ccc(-c2nc3ccccc3s2)s1)N1CCOCC1.
What is the InChIKey of [5-(1,3-benzothiazol-2-yl)thiophen-2-yl]-morpholin-4-ylmethanone?
The InChIKey is LWNDVGCPPAOGCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O2S2/c19-16(18-7-9-20-10-8-18)14-6-5-13(21-14)15-17-11-3-1-2-4-12(11)22-15/h1-6H,7-10H2.
What are the key properties of [5-(1,3-benzothiazol-2-yl)thiophen-2-yl]-morpholin-4-ylmethanone?
[5-(1,3-benzothiazol-2-yl)thiophen-2-yl]-morpholin-4-ylmethanone has a molecular weight of 330.43 g/mol, XLogP of 3.50, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(1,3-benzothiazol-2-yl)thiophen-2-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 2468834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).