1-(2-morpholin-4-yl-4,5,6,7-tetrahydro-1,3-benzothiazole-5-carbonyl)piperidine-4-carboxamide

C18H26N4O3S — CID 138384583

IUPAC1-(2-morpholin-4-yl-4,5,6,7-tetrahydro-1,3-benzothiazole-5-carbonyl)piperidine-4-carboxamide
SMILESNC(=O)C1CCN(C(=O)C2CCc3sc(N4CCOCC4)nc3C2)CC1
InChIInChI=1S/C18H26N4O3S/c19-16(23)12-3-5-21(6-4-12)17(24)13-1-2-15-14(11-13)20-18(26-15)22-7-9-25-10-8-22/h12-13H,1-11H2,(H2,19,23)
InChIKeyJUPXVUAPUQTQED-UHFFFAOYSA-N
MW378.50 g/mol
LogP0.81
Rot. Bonds3

About 1-(2-morpholin-4-yl-4,5,6,7-tetrahydro-1,3-benzothiazole-5-carbonyl)piperidine-4-carboxamide

1-(2-morpholin-4-yl-4,5,6,7-tetrahydro-1,3-benzothiazole-5-carbonyl)piperidine-4-carboxamide (PubChem CID 138384583) has the molecular formula C18H26N4O3S and a molecular weight of 378.50 g/mol. Its IUPAC name is 1-(2-morpholin-4-yl-4,5,6,7-tetrahydro-1,3-benzothiazole-5-carbonyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(2-morpholin-4-yl-4,5,6,7-tetrahydro-1,3-benzothiazole-5-carbonyl)piperidine-4-carboxamide
PubChem CID138384583
Molecular FormulaC18H26N4O3S
Molecular Weight378.50 g/mol
Exact Mass378.17
IUPAC Name1-(2-morpholin-4-yl-4,5,6,7-tetrahydro-1,3-benzothiazole-5-carbonyl)piperidine-4-carboxamide
SMILESNC(=O)C1CCN(C(=O)C2CCc3sc(N4CCOCC4)nc3C2)CC1
InChIInChI=1S/C18H26N4O3S/c19-16(23)12-3-5-21(6-4-12)17(24)13-1-2-15-14(11-13)20-18(26-15)22-7-9-25-10-8-22/h12-13H,1-11H2,(H2,19,23)
InChIKeyJUPXVUAPUQTQED-UHFFFAOYSA-N
XLogP0.81
TPSA88.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.50
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-(2-morpholin-4-yl-4,5,6,7-tetrahydro-1,3-benzothiazole-5-carbonyl)piperidine-4-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(2-morpholin-4-yl-4,5,6,7-tetrahydro-1,3-benzothiazole-5-carbonyl)piperidine-4-carboxamide?
The IUPAC name of 1-(2-morpholin-4-yl-4,5,6,7-tetrahydro-1,3-benzothiazole-5-carbonyl)piperidine-4-carboxamide (CID 138384583) is 1-(2-morpholin-4-yl-4,5,6,7-tetrahydro-1,3-benzothiazole-5-carbonyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(2-morpholin-4-yl-4,5,6,7-tetrahydro-1,3-benzothiazole-5-carbonyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(2-morpholin-4-yl-4,5,6,7-tetrahydro-1,3-benzothiazole-5-carbonyl)piperidine-4-carboxamide is NC(=O)C1CCN(C(=O)C2CCc3sc(N4CCOCC4)nc3C2)CC1.
What is the InChIKey of 1-(2-morpholin-4-yl-4,5,6,7-tetrahydro-1,3-benzothiazole-5-carbonyl)piperidine-4-carboxamide?
The InChIKey is JUPXVUAPUQTQED-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O3S/c19-16(23)12-3-5-21(6-4-12)17(24)13-1-2-15-14(11-13)20-18(26-15)22-7-9-25-10-8-22/h12-13H,1-11H2,(H2,19,23).
What are the key properties of 1-(2-morpholin-4-yl-4,5,6,7-tetrahydro-1,3-benzothiazole-5-carbonyl)piperidine-4-carboxamide?
1-(2-morpholin-4-yl-4,5,6,7-tetrahydro-1,3-benzothiazole-5-carbonyl)piperidine-4-carboxamide has a molecular weight of 378.50 g/mol, XLogP of 0.81, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-morpholin-4-yl-4,5,6,7-tetrahydro-1,3-benzothiazole-5-carbonyl)piperidine-4-carboxamide is sourced from PubChem (CID 138384583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).