(2Z,4Z)-5-[(5-methylthiophen-2-yl)amino]penta-2,4-dienal

C10H11NOS — CID 142100956

IUPAC(2Z,4Z)-5-[(5-methylthiophen-2-yl)amino]penta-2,4-dienal
SMILESCc1ccc(N/C=C\C=C/C=O)s1
InChIInChI=1S/C10H11NOS/c1-9-5-6-10(13-9)11-7-3-2-4-8-12/h2-8,11H,1H3/b4-2-,7-3-
InChIKeyBRVAHTQFDZIICR-KTVKLFPBSA-N
MW193.27 g/mol
LogP2.74
Rot. Bonds4

About (2Z,4Z)-5-[(5-methylthiophen-2-yl)amino]penta-2,4-dienal

(2Z,4Z)-5-[(5-methylthiophen-2-yl)amino]penta-2,4-dienal (PubChem CID 142100956) has the molecular formula C10H11NOS and a molecular weight of 193.27 g/mol. Its IUPAC name is (2Z,4Z)-5-[(5-methylthiophen-2-yl)amino]penta-2,4-dienal.

Molecular Properties

Compound Name(2Z,4Z)-5-[(5-methylthiophen-2-yl)amino]penta-2,4-dienal
PubChem CID142100956
Molecular FormulaC10H11NOS
Molecular Weight193.27 g/mol
Exact Mass193.06
IUPAC Name(2Z,4Z)-5-[(5-methylthiophen-2-yl)amino]penta-2,4-dienal
SMILESCc1ccc(N/C=C\C=C/C=O)s1
InChIInChI=1S/C10H11NOS/c1-9-5-6-10(13-9)11-7-3-2-4-8-12/h2-8,11H,1H3/b4-2-,7-3-
InChIKeyBRVAHTQFDZIICR-KTVKLFPBSA-N
XLogP2.74
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.27
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2Z,4Z)-5-[(5-methylthiophen-2-yl)amino]penta-2,4-dienal?
The IUPAC name of (2Z,4Z)-5-[(5-methylthiophen-2-yl)amino]penta-2,4-dienal (CID 142100956) is (2Z,4Z)-5-[(5-methylthiophen-2-yl)amino]penta-2,4-dienal.
What is the SMILES notation for (2Z,4Z)-5-[(5-methylthiophen-2-yl)amino]penta-2,4-dienal?
The canonical SMILES for (2Z,4Z)-5-[(5-methylthiophen-2-yl)amino]penta-2,4-dienal is Cc1ccc(N/C=C\C=C/C=O)s1.
What is the InChIKey of (2Z,4Z)-5-[(5-methylthiophen-2-yl)amino]penta-2,4-dienal?
The InChIKey is BRVAHTQFDZIICR-KTVKLFPBSA-N. The full InChI is InChI=1S/C10H11NOS/c1-9-5-6-10(13-9)11-7-3-2-4-8-12/h2-8,11H,1H3/b4-2-,7-3-.
What are the key properties of (2Z,4Z)-5-[(5-methylthiophen-2-yl)amino]penta-2,4-dienal?
(2Z,4Z)-5-[(5-methylthiophen-2-yl)amino]penta-2,4-dienal has a molecular weight of 193.27 g/mol, XLogP of 2.74, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4Z)-5-[(5-methylthiophen-2-yl)amino]penta-2,4-dienal is sourced from PubChem (CID 142100956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).