N-(6-chloro-1,3-benzothiazol-2-yl)-2-morpholin-4-ylacetamide

C13H14ClN3O2S — CID 6489804

IUPACN-(6-chloro-1,3-benzothiazol-2-yl)-2-morpholin-4-ylacetamide
SMILESO=C(CN1CCOCC1)Nc1nc2ccc(Cl)cc2s1
InChIInChI=1S/C13H14ClN3O2S/c14-9-1-2-10-11(7-9)20-13(15-10)16-12(18)8-17-3-5-19-6-4-17/h1-2,7H,3-6,8H2,(H,15,16,18)
InChIKeyRDDYEVRYPOZXNA-UHFFFAOYSA-N
MW311.79 g/mol
LogP2.22
Rot. Bonds3

About N-(6-chloro-1,3-benzothiazol-2-yl)-2-morpholin-4-ylacetamide

N-(6-chloro-1,3-benzothiazol-2-yl)-2-morpholin-4-ylacetamide (PubChem CID 6489804) has the molecular formula C13H14ClN3O2S and a molecular weight of 311.79 g/mol. Its IUPAC name is N-(6-chloro-1,3-benzothiazol-2-yl)-2-morpholin-4-ylacetamide.

Molecular Properties

Compound NameN-(6-chloro-1,3-benzothiazol-2-yl)-2-morpholin-4-ylacetamide
PubChem CID6489804
Molecular FormulaC13H14ClN3O2S
Molecular Weight311.79 g/mol
Exact Mass311.05
IUPAC NameN-(6-chloro-1,3-benzothiazol-2-yl)-2-morpholin-4-ylacetamide
SMILESO=C(CN1CCOCC1)Nc1nc2ccc(Cl)cc2s1
InChIInChI=1S/C13H14ClN3O2S/c14-9-1-2-10-11(7-9)20-13(15-10)16-12(18)8-17-3-5-19-6-4-17/h1-2,7H,3-6,8H2,(H,15,16,18)
InChIKeyRDDYEVRYPOZXNA-UHFFFAOYSA-N
XLogP2.22
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.79
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(6-chloro-1,3-benzothiazol-2-yl)-2-morpholin-4-ylacetamide 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 N-(6-chloro-1,3-benzothiazol-2-yl)-2-morpholin-4-ylacetamide?
The IUPAC name of N-(6-chloro-1,3-benzothiazol-2-yl)-2-morpholin-4-ylacetamide (CID 6489804) is N-(6-chloro-1,3-benzothiazol-2-yl)-2-morpholin-4-ylacetamide.
What is the SMILES notation for N-(6-chloro-1,3-benzothiazol-2-yl)-2-morpholin-4-ylacetamide?
The canonical SMILES for N-(6-chloro-1,3-benzothiazol-2-yl)-2-morpholin-4-ylacetamide is O=C(CN1CCOCC1)Nc1nc2ccc(Cl)cc2s1.
What is the InChIKey of N-(6-chloro-1,3-benzothiazol-2-yl)-2-morpholin-4-ylacetamide?
The InChIKey is RDDYEVRYPOZXNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3O2S/c14-9-1-2-10-11(7-9)20-13(15-10)16-12(18)8-17-3-5-19-6-4-17/h1-2,7H,3-6,8H2,(H,15,16,18).
What are the key properties of N-(6-chloro-1,3-benzothiazol-2-yl)-2-morpholin-4-ylacetamide?
N-(6-chloro-1,3-benzothiazol-2-yl)-2-morpholin-4-ylacetamide has a molecular weight of 311.79 g/mol, XLogP of 2.22, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloro-1,3-benzothiazol-2-yl)-2-morpholin-4-ylacetamide is sourced from PubChem (CID 6489804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).