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

C13H13N3O2S2 — CID 18093634

IUPACN-(1,3-benzothiazol-2-yl)-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide
SMILESO=C(CCN1CCSC1=O)Nc1nc2ccccc2s1
InChIInChI=1S/C13H13N3O2S2/c17-11(5-6-16-7-8-19-13(16)18)15-12-14-9-3-1-2-4-10(9)20-12/h1-4H,5-8H2,(H,14,15,17)
InChIKeyQAPJVBIBQSNVMB-UHFFFAOYSA-N
MW307.40 g/mol
LogP2.79
Rot. Bonds4

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

N-(1,3-benzothiazol-2-yl)-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide (PubChem CID 18093634) has the molecular formula C13H13N3O2S2 and a molecular weight of 307.40 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-yl)-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-2-yl)-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide
PubChem CID18093634
Molecular FormulaC13H13N3O2S2
Molecular Weight307.40 g/mol
Exact Mass307.04
IUPAC NameN-(1,3-benzothiazol-2-yl)-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide
SMILESO=C(CCN1CCSC1=O)Nc1nc2ccccc2s1
InChIInChI=1S/C13H13N3O2S2/c17-11(5-6-16-7-8-19-13(16)18)15-12-14-9-3-1-2-4-10(9)20-12/h1-4H,5-8H2,(H,14,15,17)
InChIKeyQAPJVBIBQSNVMB-UHFFFAOYSA-N
XLogP2.79
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-ylmethyl)-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide
CID 18110819
N-(6-acetamido-1,3-benzothiazol-2-yl)-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide
CID 55513060
1,3-benzothiazol-2-ylmethyl 3-(2-oxo-1,3-thiazolidin-3-yl)propanoate
CID 40765621
3-[(3aS,7aS)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]-N-(1,3-benzothiazol-2-yl)propanamide
CID 2677046
N-(1,3-benzothiazol-2-yl)-4-trimethylsilylbutanamide
CID 53439401
6-(1,3-benzothiazol-2-ylamino)-6-oxohexanoate
CID 2063722
N-(1,3-benzothiazol-2-yl)-5-hydroxypentanamide
CID 79198900
N-(benzimidazol-1-yl)-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide
CID 18126203
N-(1,3-benzothiazol-2-yl)-N-(3,5-dimethylphenyl)-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide
CID 24505875
N-(1,3-benzothiazol-2-yl)-2-piperidin-1-ylacetamide
CID 788494
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide
CID 18093494

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-2-yl)-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide?
The IUPAC name of N-(1,3-benzothiazol-2-yl)-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide (CID 18093634) is N-(1,3-benzothiazol-2-yl)-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide.
What is the SMILES notation for N-(1,3-benzothiazol-2-yl)-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide?
The canonical SMILES for N-(1,3-benzothiazol-2-yl)-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide is O=C(CCN1CCSC1=O)Nc1nc2ccccc2s1.
What is the InChIKey of N-(1,3-benzothiazol-2-yl)-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide?
The InChIKey is QAPJVBIBQSNVMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O2S2/c17-11(5-6-16-7-8-19-13(16)18)15-12-14-9-3-1-2-4-10(9)20-12/h1-4H,5-8H2,(H,14,15,17).
What are the key properties of N-(1,3-benzothiazol-2-yl)-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide?
N-(1,3-benzothiazol-2-yl)-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide has a molecular weight of 307.40 g/mol, XLogP of 2.79, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzothiazol-2-yl)-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide is sourced from PubChem (CID 18093634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).