N,N'-bis(1,3-thiazol-2-yl)propanediamide

C9H8N4O2S2 — CID 685645

IUPACN,N'-bis(1,3-thiazol-2-yl)propanediamide
SMILESO=C(CC(=O)Nc1nccs1)Nc1nccs1
InChIInChI=1S/C9H8N4O2S2/c14-6(12-8-10-1-3-16-8)5-7(15)13-9-11-2-4-17-9/h1-4H,5H2,(H,10,12,14)(H,11,13,15)
InChIKeyAZFZJJXSLKEWEW-UHFFFAOYSA-N
MW268.32 g/mol
LogP1.57
Rot. Bonds4

About N,N'-bis(1,3-thiazol-2-yl)propanediamide

N,N'-bis(1,3-thiazol-2-yl)propanediamide (PubChem CID 685645) has the molecular formula C9H8N4O2S2 and a molecular weight of 268.32 g/mol. Its IUPAC name is N,N'-bis(1,3-thiazol-2-yl)propanediamide.

Molecular Properties

Compound NameN,N'-bis(1,3-thiazol-2-yl)propanediamide
PubChem CID685645
Molecular FormulaC9H8N4O2S2
Molecular Weight268.32 g/mol
Exact Mass268.01
IUPAC NameN,N'-bis(1,3-thiazol-2-yl)propanediamide
SMILESO=C(CC(=O)Nc1nccs1)Nc1nccs1
InChIInChI=1S/C9H8N4O2S2/c14-6(12-8-10-1-3-16-8)5-7(15)13-9-11-2-4-17-9/h1-4H,5H2,(H,10,12,14)(H,11,13,15)
InChIKeyAZFZJJXSLKEWEW-UHFFFAOYSA-N
XLogP1.57
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,N'-bis(1,3-thiazol-2-yl)propanediamide?
The IUPAC name of N,N'-bis(1,3-thiazol-2-yl)propanediamide (CID 685645) is N,N'-bis(1,3-thiazol-2-yl)propanediamide.
What is the SMILES notation for N,N'-bis(1,3-thiazol-2-yl)propanediamide?
The canonical SMILES for N,N'-bis(1,3-thiazol-2-yl)propanediamide is O=C(CC(=O)Nc1nccs1)Nc1nccs1.
What is the InChIKey of N,N'-bis(1,3-thiazol-2-yl)propanediamide?
The InChIKey is AZFZJJXSLKEWEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N4O2S2/c14-6(12-8-10-1-3-16-8)5-7(15)13-9-11-2-4-17-9/h1-4H,5H2,(H,10,12,14)(H,11,13,15).
What are the key properties of N,N'-bis(1,3-thiazol-2-yl)propanediamide?
N,N'-bis(1,3-thiazol-2-yl)propanediamide has a molecular weight of 268.32 g/mol, XLogP of 1.57, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis(1,3-thiazol-2-yl)propanediamide is sourced from PubChem (CID 685645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).