N-(5-acetamido-1,3-benzothiazol-2-yl)-2-morpholin-4-ylacetamide

C15H18N4O3S — CID 3163704

IUPACN-(5-acetamido-1,3-benzothiazol-2-yl)-2-morpholin-4-ylacetamide
SMILESCC(=O)Nc1ccc2sc(NC(=O)CN3CCOCC3)nc2c1
InChIInChI=1S/C15H18N4O3S/c1-10(20)16-11-2-3-13-12(8-11)17-15(23-13)18-14(21)9-19-4-6-22-7-5-19/h2-3,8H,4-7,9H2,1H3,(H,16,20)(H,17,18,21)
InChIKeyNKMPJTRTYWATJP-UHFFFAOYSA-N
MW334.40 g/mol
LogP1.53
Rot. Bonds4

About N-(5-acetamido-1,3-benzothiazol-2-yl)-2-morpholin-4-ylacetamide

N-(5-acetamido-1,3-benzothiazol-2-yl)-2-morpholin-4-ylacetamide (PubChem CID 3163704) has the molecular formula C15H18N4O3S and a molecular weight of 334.40 g/mol. Its IUPAC name is N-(5-acetamido-1,3-benzothiazol-2-yl)-2-morpholin-4-ylacetamide.

Molecular Properties

Compound NameN-(5-acetamido-1,3-benzothiazol-2-yl)-2-morpholin-4-ylacetamide
PubChem CID3163704
Molecular FormulaC15H18N4O3S
Molecular Weight334.40 g/mol
Exact Mass334.11
IUPAC NameN-(5-acetamido-1,3-benzothiazol-2-yl)-2-morpholin-4-ylacetamide
SMILESCC(=O)Nc1ccc2sc(NC(=O)CN3CCOCC3)nc2c1
InChIInChI=1S/C15H18N4O3S/c1-10(20)16-11-2-3-13-12(8-11)17-15(23-13)18-14(21)9-19-4-6-22-7-5-19/h2-3,8H,4-7,9H2,1H3,(H,16,20)(H,17,18,21)
InChIKeyNKMPJTRTYWATJP-UHFFFAOYSA-N
XLogP1.53
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.40
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-(5-acetamido-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-(5-acetamido-1,3-benzothiazol-2-yl)-2-morpholin-4-ylacetamide?
The IUPAC name of N-(5-acetamido-1,3-benzothiazol-2-yl)-2-morpholin-4-ylacetamide (CID 3163704) is N-(5-acetamido-1,3-benzothiazol-2-yl)-2-morpholin-4-ylacetamide.
What is the SMILES notation for N-(5-acetamido-1,3-benzothiazol-2-yl)-2-morpholin-4-ylacetamide?
The canonical SMILES for N-(5-acetamido-1,3-benzothiazol-2-yl)-2-morpholin-4-ylacetamide is CC(=O)Nc1ccc2sc(NC(=O)CN3CCOCC3)nc2c1.
What is the InChIKey of N-(5-acetamido-1,3-benzothiazol-2-yl)-2-morpholin-4-ylacetamide?
The InChIKey is NKMPJTRTYWATJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O3S/c1-10(20)16-11-2-3-13-12(8-11)17-15(23-13)18-14(21)9-19-4-6-22-7-5-19/h2-3,8H,4-7,9H2,1H3,(H,16,20)(H,17,18,21).
What are the key properties of N-(5-acetamido-1,3-benzothiazol-2-yl)-2-morpholin-4-ylacetamide?
N-(5-acetamido-1,3-benzothiazol-2-yl)-2-morpholin-4-ylacetamide has a molecular weight of 334.40 g/mol, XLogP of 1.53, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-acetamido-1,3-benzothiazol-2-yl)-2-morpholin-4-ylacetamide is sourced from PubChem (CID 3163704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).