ethane;N-[3-(4-formyl-1,3-thiazol-2-yl)propyl]acetamide

C11H18N2O2S — CID 144755315

IUPACethane;N-[3-(4-formyl-1,3-thiazol-2-yl)propyl]acetamide
SMILESCC.CC(=O)NCCCc1nc(C=O)cs1
InChIInChI=1S/C9H12N2O2S.C2H6/c1-7(13)10-4-2-3-9-11-8(5-12)6-14-9;1-2/h5-6H,2-4H2,1H3,(H,10,13);1-2H3
InChIKeyUNBXTSKCEZDZMO-UHFFFAOYSA-N
MW242.34 g/mol
LogP2.05
Rot. Bonds5

About ethane;N-[3-(4-formyl-1,3-thiazol-2-yl)propyl]acetamide

ethane;N-[3-(4-formyl-1,3-thiazol-2-yl)propyl]acetamide (PubChem CID 144755315) has the molecular formula C11H18N2O2S and a molecular weight of 242.34 g/mol. Its IUPAC name is ethane;N-[3-(4-formyl-1,3-thiazol-2-yl)propyl]acetamide.

Molecular Properties

Compound Nameethane;N-[3-(4-formyl-1,3-thiazol-2-yl)propyl]acetamide
PubChem CID144755315
Molecular FormulaC11H18N2O2S
Molecular Weight242.34 g/mol
Exact Mass242.11
IUPAC Nameethane;N-[3-(4-formyl-1,3-thiazol-2-yl)propyl]acetamide
SMILESCC.CC(=O)NCCCc1nc(C=O)cs1
InChIInChI=1S/C9H12N2O2S.C2H6/c1-7(13)10-4-2-3-9-11-8(5-12)6-14-9;1-2/h5-6H,2-4H2,1H3,(H,10,13);1-2H3
InChIKeyUNBXTSKCEZDZMO-UHFFFAOYSA-N
XLogP2.05
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.34
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethane;N-[3-(4-formyl-1,3-thiazol-2-yl)propyl]acetamide?
The IUPAC name of ethane;N-[3-(4-formyl-1,3-thiazol-2-yl)propyl]acetamide (CID 144755315) is ethane;N-[3-(4-formyl-1,3-thiazol-2-yl)propyl]acetamide.
What is the SMILES notation for ethane;N-[3-(4-formyl-1,3-thiazol-2-yl)propyl]acetamide?
The canonical SMILES for ethane;N-[3-(4-formyl-1,3-thiazol-2-yl)propyl]acetamide is CC.CC(=O)NCCCc1nc(C=O)cs1.
What is the InChIKey of ethane;N-[3-(4-formyl-1,3-thiazol-2-yl)propyl]acetamide?
The InChIKey is UNBXTSKCEZDZMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O2S.C2H6/c1-7(13)10-4-2-3-9-11-8(5-12)6-14-9;1-2/h5-6H,2-4H2,1H3,(H,10,13);1-2H3.
What are the key properties of ethane;N-[3-(4-formyl-1,3-thiazol-2-yl)propyl]acetamide?
ethane;N-[3-(4-formyl-1,3-thiazol-2-yl)propyl]acetamide has a molecular weight of 242.34 g/mol, XLogP of 2.05, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-[3-(4-formyl-1,3-thiazol-2-yl)propyl]acetamide is sourced from PubChem (CID 144755315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).