N-(6-acetamido-1,3-benzothiazol-2-yl)-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide

C15H16N4O3S2 — CID 55513060

IUPACN-(6-acetamido-1,3-benzothiazol-2-yl)-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide
SMILESCC(=O)Nc1ccc2nc(NC(=O)CCN3CCSC3=O)sc2c1
InChIInChI=1S/C15H16N4O3S2/c1-9(20)16-10-2-3-11-12(8-10)24-14(17-11)18-13(21)4-5-19-6-7-23-15(19)22/h2-3,8H,4-7H2,1H3,(H,16,20)(H,17,18,21)
InChIKeyIITXEUGCBYMSHX-UHFFFAOYSA-N
MW364.45 g/mol
LogP2.75
Rot. Bonds5

About N-(6-acetamido-1,3-benzothiazol-2-yl)-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide

N-(6-acetamido-1,3-benzothiazol-2-yl)-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide (PubChem CID 55513060) has the molecular formula C15H16N4O3S2 and a molecular weight of 364.45 g/mol. Its IUPAC name is N-(6-acetamido-1,3-benzothiazol-2-yl)-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide.

Molecular Properties

Compound NameN-(6-acetamido-1,3-benzothiazol-2-yl)-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide
PubChem CID55513060
Molecular FormulaC15H16N4O3S2
Molecular Weight364.45 g/mol
Exact Mass364.07
IUPAC NameN-(6-acetamido-1,3-benzothiazol-2-yl)-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide
SMILESCC(=O)Nc1ccc2nc(NC(=O)CCN3CCSC3=O)sc2c1
InChIInChI=1S/C15H16N4O3S2/c1-9(20)16-10-2-3-11-12(8-10)24-14(17-11)18-13(21)4-5-19-6-7-23-15(19)22/h2-3,8H,4-7H2,1H3,(H,16,20)(H,17,18,21)
InChIKeyIITXEUGCBYMSHX-UHFFFAOYSA-N
XLogP2.75
TPSA91.40 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thioester', 'substructure': 'N/A'}

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Related Compounds

N-(6-methyl-1,3-benzothiazol-2-yl)-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide
CID 18126299
N-(1,3-benzothiazol-2-yl)-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide
CID 18093634
N-(6-acetamido-1,3-benzothiazol-2-yl)-3-phenylsulfanylpropanamide
CID 4281794
N-(6-acetamido-1,3-benzothiazol-2-yl)-3-(4-chlorophenyl)sulfanylpropanamide
CID 7254652
N-(6-acetamido-1,3-benzothiazol-2-yl)-2-phenylacetamide
CID 954022
N-[6-[(2-chloroacetyl)amino]-1,3-benzothiazol-2-yl]butanamide
CID 141458638
N-(6-methyl-1,3-benzothiazol-2-yl)-3-(2-oxo-1,3-oxazolidin-3-yl)propanamide
CID 110686960
N-(6-acetamido-1,3-benzothiazol-2-yl)-4-(2-phenylethoxy)butanamide
CID 55832376
N-(6-acetamido-1,3-benzothiazol-2-yl)-3-(3-propyl-1,2,4-oxadiazol-5-yl)propanamide
CID 24688222
N-(6-acetamido-1,3-benzothiazol-2-yl)-2-(1-adamantyl)acetamide
CID 3981360
N-(2-acetamido-1,3-benzothiazol-6-yl)-2-cyanoacetamide
CID 168521756
N-[4-(hydroxymethyl)phenyl]-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide
CID 64795223

Frequently Asked Questions

What is the IUPAC name of N-(6-acetamido-1,3-benzothiazol-2-yl)-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide?
The IUPAC name of N-(6-acetamido-1,3-benzothiazol-2-yl)-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide (CID 55513060) is N-(6-acetamido-1,3-benzothiazol-2-yl)-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide.
What is the SMILES notation for N-(6-acetamido-1,3-benzothiazol-2-yl)-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide?
The canonical SMILES for N-(6-acetamido-1,3-benzothiazol-2-yl)-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide is CC(=O)Nc1ccc2nc(NC(=O)CCN3CCSC3=O)sc2c1.
What is the InChIKey of N-(6-acetamido-1,3-benzothiazol-2-yl)-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide?
The InChIKey is IITXEUGCBYMSHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O3S2/c1-9(20)16-10-2-3-11-12(8-10)24-14(17-11)18-13(21)4-5-19-6-7-23-15(19)22/h2-3,8H,4-7H2,1H3,(H,16,20)(H,17,18,21).
What are the key properties of N-(6-acetamido-1,3-benzothiazol-2-yl)-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide?
N-(6-acetamido-1,3-benzothiazol-2-yl)-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide has a molecular weight of 364.45 g/mol, XLogP of 2.75, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-acetamido-1,3-benzothiazol-2-yl)-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide is sourced from PubChem (CID 55513060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).