2-(thiophen-2-ylmethylidene)propanediamide

C8H8N2O2S — CID 5079332

IUPAC2-(thiophen-2-ylmethylidene)propanediamide
SMILESNC(=O)C(=Cc1cccs1)C(N)=O
InChIInChI=1S/C8H8N2O2S/c9-7(11)6(8(10)12)4-5-2-1-3-13-5/h1-4H,(H2,9,11)(H2,10,12)
InChIKeyOHPOYXZAYSVLCS-UHFFFAOYSA-N
MW196.23 g/mol
LogP0.10
Rot. Bonds3

About 2-(thiophen-2-ylmethylidene)propanediamide

2-(thiophen-2-ylmethylidene)propanediamide (PubChem CID 5079332) has the molecular formula C8H8N2O2S and a molecular weight of 196.23 g/mol. Its IUPAC name is 2-(thiophen-2-ylmethylidene)propanediamide.

Molecular Properties

Compound Name2-(thiophen-2-ylmethylidene)propanediamide
PubChem CID5079332
Molecular FormulaC8H8N2O2S
Molecular Weight196.23 g/mol
Exact Mass196.03
IUPAC Name2-(thiophen-2-ylmethylidene)propanediamide
SMILESNC(=O)C(=Cc1cccs1)C(N)=O
InChIInChI=1S/C8H8N2O2S/c9-7(11)6(8(10)12)4-5-2-1-3-13-5/h1-4H,(H2,9,11)(H2,10,12)
InChIKeyOHPOYXZAYSVLCS-UHFFFAOYSA-N
XLogP0.10
TPSA86.18 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.23
LogP ≤ 50.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}

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Related Compounds

2-(thiophen-2-ylmethylidene)propanedioic acid
CID 4714957
(E)-2-amino-3-thiophen-2-ylprop-2-enoic acid
CID 104830865
dibenzyl 2-(thiophen-2-ylmethylidene)propanedioate
CID 12987266
3-thiophen-2-ylprop-2-ene-1,2-diamine
CID 163408563
methyl (2Z)-3-oxo-2-(thiophen-2-ylmethylidene)butanoate
CID 67842842
(E)-N,N,2-trimethyl-3-thiophen-2-ylprop-2-enamide
CID 14383806
(E)-2-chloro-3-thiophen-2-ylprop-2-enoic acid
CID 88503797
methyl 2-methyl-3-thiophen-2-ylprop-2-enoate
CID 57285992
2-sulfanyl-3-thiophen-2-ylprop-2-enoic acid;hydrate
CID 71375341
N,N'-bis(2-fluorophenyl)-2-(thiophen-2-ylmethylidene)propanediamide
CID 4810053
methyl (Z)-2-hydroxy-3-thiophen-2-ylprop-2-enoate
CID 52985524
N,N'-bis(3-chlorophenyl)-2-(thiophen-2-ylmethylidene)propanediamide
CID 2455673

Frequently Asked Questions

What is the IUPAC name of 2-(thiophen-2-ylmethylidene)propanediamide?
The IUPAC name of 2-(thiophen-2-ylmethylidene)propanediamide (CID 5079332) is 2-(thiophen-2-ylmethylidene)propanediamide.
What is the SMILES notation for 2-(thiophen-2-ylmethylidene)propanediamide?
The canonical SMILES for 2-(thiophen-2-ylmethylidene)propanediamide is NC(=O)C(=Cc1cccs1)C(N)=O.
What is the InChIKey of 2-(thiophen-2-ylmethylidene)propanediamide?
The InChIKey is OHPOYXZAYSVLCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2O2S/c9-7(11)6(8(10)12)4-5-2-1-3-13-5/h1-4H,(H2,9,11)(H2,10,12).
What are the key properties of 2-(thiophen-2-ylmethylidene)propanediamide?
2-(thiophen-2-ylmethylidene)propanediamide has a molecular weight of 196.23 g/mol, XLogP of 0.10, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(thiophen-2-ylmethylidene)propanediamide is sourced from PubChem (CID 5079332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).