N-[(2E,4E)-2-methyl-5-(4-methyl-1,3-thiazol-5-yl)penta-2,4-dienyl]formamide

C11H14N2OS — CID 176948249

IUPACN-[(2E,4E)-2-methyl-5-(4-methyl-1,3-thiazol-5-yl)penta-2,4-dienyl]formamide
SMILESC/C(=C\C=C\c1scnc1C)CNC=O
InChIInChI=1S/C11H14N2OS/c1-9(6-12-7-14)4-3-5-11-10(2)13-8-15-11/h3-5,7-8H,6H2,1-2H3,(H,12,14)/b5-3+,9-4+
InChIKeyAUWCOISGEXNOHL-BMVOEDMYSA-N
MW222.31 g/mol
LogP2.16
Rot. Bonds5

About N-[(2E,4E)-2-methyl-5-(4-methyl-1,3-thiazol-5-yl)penta-2,4-dienyl]formamide

N-[(2E,4E)-2-methyl-5-(4-methyl-1,3-thiazol-5-yl)penta-2,4-dienyl]formamide (PubChem CID 176948249) has the molecular formula C11H14N2OS and a molecular weight of 222.31 g/mol. Its IUPAC name is N-[(2E,4E)-2-methyl-5-(4-methyl-1,3-thiazol-5-yl)penta-2,4-dienyl]formamide.

Molecular Properties

Compound NameN-[(2E,4E)-2-methyl-5-(4-methyl-1,3-thiazol-5-yl)penta-2,4-dienyl]formamide
PubChem CID176948249
Molecular FormulaC11H14N2OS
Molecular Weight222.31 g/mol
Exact Mass222.08
IUPAC NameN-[(2E,4E)-2-methyl-5-(4-methyl-1,3-thiazol-5-yl)penta-2,4-dienyl]formamide
SMILESC/C(=C\C=C\c1scnc1C)CNC=O
InChIInChI=1S/C11H14N2OS/c1-9(6-12-7-14)4-3-5-11-10(2)13-8-15-11/h3-5,7-8H,6H2,1-2H3,(H,12,14)/b5-3+,9-4+
InChIKeyAUWCOISGEXNOHL-BMVOEDMYSA-N
XLogP2.16
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.31
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(2E,4E)-2-methyl-5-(4-methyl-1,3-thiazol-5-yl)penta-2,4-dienyl]formamide?
The IUPAC name of N-[(2E,4E)-2-methyl-5-(4-methyl-1,3-thiazol-5-yl)penta-2,4-dienyl]formamide (CID 176948249) is N-[(2E,4E)-2-methyl-5-(4-methyl-1,3-thiazol-5-yl)penta-2,4-dienyl]formamide.
What is the SMILES notation for N-[(2E,4E)-2-methyl-5-(4-methyl-1,3-thiazol-5-yl)penta-2,4-dienyl]formamide?
The canonical SMILES for N-[(2E,4E)-2-methyl-5-(4-methyl-1,3-thiazol-5-yl)penta-2,4-dienyl]formamide is C/C(=C\C=C\c1scnc1C)CNC=O.
What is the InChIKey of N-[(2E,4E)-2-methyl-5-(4-methyl-1,3-thiazol-5-yl)penta-2,4-dienyl]formamide?
The InChIKey is AUWCOISGEXNOHL-BMVOEDMYSA-N. The full InChI is InChI=1S/C11H14N2OS/c1-9(6-12-7-14)4-3-5-11-10(2)13-8-15-11/h3-5,7-8H,6H2,1-2H3,(H,12,14)/b5-3+,9-4+.
What are the key properties of N-[(2E,4E)-2-methyl-5-(4-methyl-1,3-thiazol-5-yl)penta-2,4-dienyl]formamide?
N-[(2E,4E)-2-methyl-5-(4-methyl-1,3-thiazol-5-yl)penta-2,4-dienyl]formamide has a molecular weight of 222.31 g/mol, XLogP of 2.16, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2E,4E)-2-methyl-5-(4-methyl-1,3-thiazol-5-yl)penta-2,4-dienyl]formamide is sourced from PubChem (CID 176948249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).