3-[2-[[1-(1,3-benzothiazol-2-yl)piperidin-4-yl]amino]ethyl]-1,3-oxazinan-2-one

C18H24N4O2S — CID 72940699

IUPAC3-[2-[[1-(1,3-benzothiazol-2-yl)piperidin-4-yl]amino]ethyl]-1,3-oxazinan-2-one
SMILESO=C1OCCCN1CCNC1CCN(c2nc3ccccc3s2)CC1
InChIInChI=1S/C18H24N4O2S/c23-18-22(9-3-13-24-18)12-8-19-14-6-10-21(11-7-14)17-20-15-4-1-2-5-16(15)25-17/h1-2,4-5,14,19H,3,6-13H2
InChIKeyIHAWIZCHYWLSSS-UHFFFAOYSA-N
MW360.48 g/mol
LogP2.70
Rot. Bonds5

About 3-[2-[[1-(1,3-benzothiazol-2-yl)piperidin-4-yl]amino]ethyl]-1,3-oxazinan-2-one

3-[2-[[1-(1,3-benzothiazol-2-yl)piperidin-4-yl]amino]ethyl]-1,3-oxazinan-2-one (PubChem CID 72940699) has the molecular formula C18H24N4O2S and a molecular weight of 360.48 g/mol. Its IUPAC name is 3-[2-[[1-(1,3-benzothiazol-2-yl)piperidin-4-yl]amino]ethyl]-1,3-oxazinan-2-one.

Molecular Properties

Compound Name3-[2-[[1-(1,3-benzothiazol-2-yl)piperidin-4-yl]amino]ethyl]-1,3-oxazinan-2-one
PubChem CID72940699
Molecular FormulaC18H24N4O2S
Molecular Weight360.48 g/mol
Exact Mass360.16
IUPAC Name3-[2-[[1-(1,3-benzothiazol-2-yl)piperidin-4-yl]amino]ethyl]-1,3-oxazinan-2-one
SMILESO=C1OCCCN1CCNC1CCN(c2nc3ccccc3s2)CC1
InChIInChI=1S/C18H24N4O2S/c23-18-22(9-3-13-24-18)12-8-19-14-6-10-21(11-7-14)17-20-15-4-1-2-5-16(15)25-17/h1-2,4-5,14,19H,3,6-13H2
InChIKeyIHAWIZCHYWLSSS-UHFFFAOYSA-N
XLogP2.70
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.48
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-[2-[[1-(1,3-benzothiazol-2-yl)piperidin-4-yl]amino]ethyl]-1,3-oxazinan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[[1-(1,3-benzothiazol-2-yl)piperidin-4-yl]methyl]piperidin-2-one
CID 133326124
4-[1-(1,3-benzothiazol-2-yl)piperidin-4-yl]morpholine
CID 171691387
2-[4-(propylamino)piperidin-1-yl]-1,3-benzothiazol-6-ol
CID 91806718
[1-(1,3-benzothiazol-2-yl)piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 46808360
3-[2-[[1-[3-(5-methyl-1,3,4-thiadiazol-2-yl)phenyl]piperidin-4-yl]amino]ethyl]-1,3-oxazolidin-2-one
CID 31125408
4-(1,3-benzothiazol-2-yl)-N-(1-methylpiperidin-4-yl)piperazine-1-carboxamide
CID 11610179
3-[1-(1,3-benzothiazol-2-yl)piperidin-4-yl]propanoic acid
CID 62215979
2-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-N-cyclopropylacetamide
CID 34042322
2-[4-(2,3,4,5,6-pentafluorophenyl)piperidin-1-yl]-1,3-benzothiazole
CID 175245982
tert-butyl N-[[1-(1,3-benzothiazol-2-yl)piperidin-4-yl]methyl]carbamate
CID 71632518
N-[[1-(1,3-benzothiazol-2-yl)piperidin-4-yl]methyl]-2-cyclohexylacetamide
CID 121109192
N-[[1-(1,3-benzothiazol-2-yl)piperidin-4-yl]methyl]-N'-propan-2-yloxamide
CID 121107882

Frequently Asked Questions

What is the IUPAC name of 3-[2-[[1-(1,3-benzothiazol-2-yl)piperidin-4-yl]amino]ethyl]-1,3-oxazinan-2-one?
The IUPAC name of 3-[2-[[1-(1,3-benzothiazol-2-yl)piperidin-4-yl]amino]ethyl]-1,3-oxazinan-2-one (CID 72940699) is 3-[2-[[1-(1,3-benzothiazol-2-yl)piperidin-4-yl]amino]ethyl]-1,3-oxazinan-2-one.
What is the SMILES notation for 3-[2-[[1-(1,3-benzothiazol-2-yl)piperidin-4-yl]amino]ethyl]-1,3-oxazinan-2-one?
The canonical SMILES for 3-[2-[[1-(1,3-benzothiazol-2-yl)piperidin-4-yl]amino]ethyl]-1,3-oxazinan-2-one is O=C1OCCCN1CCNC1CCN(c2nc3ccccc3s2)CC1.
What is the InChIKey of 3-[2-[[1-(1,3-benzothiazol-2-yl)piperidin-4-yl]amino]ethyl]-1,3-oxazinan-2-one?
The InChIKey is IHAWIZCHYWLSSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2S/c23-18-22(9-3-13-24-18)12-8-19-14-6-10-21(11-7-14)17-20-15-4-1-2-5-16(15)25-17/h1-2,4-5,14,19H,3,6-13H2.
What are the key properties of 3-[2-[[1-(1,3-benzothiazol-2-yl)piperidin-4-yl]amino]ethyl]-1,3-oxazinan-2-one?
3-[2-[[1-(1,3-benzothiazol-2-yl)piperidin-4-yl]amino]ethyl]-1,3-oxazinan-2-one has a molecular weight of 360.48 g/mol, XLogP of 2.70, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[[1-(1,3-benzothiazol-2-yl)piperidin-4-yl]amino]ethyl]-1,3-oxazinan-2-one is sourced from PubChem (CID 72940699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).