N-(3-ethyl-4-methyl-1,3-thiazol-2-ylidene)benzamide

C13H14N2OS — CID 3235754

IUPACN-(3-ethyl-4-methyl-1,3-thiazol-2-ylidene)benzamide
SMILESCCn1c(C)cs/c1=N/C(=O)c1ccccc1
InChIInChI=1S/C13H14N2OS/c1-3-15-10(2)9-17-13(15)14-12(16)11-7-5-4-6-8-11/h4-9H,3H2,1-2H3/b14-13+
InChIKeyQGSJABAKNUXEDA-BUHFOSPRSA-N
MW246.34 g/mol
LogP2.62
Rot. Bonds2

About N-(3-ethyl-4-methyl-1,3-thiazol-2-ylidene)benzamide

N-(3-ethyl-4-methyl-1,3-thiazol-2-ylidene)benzamide (PubChem CID 3235754) has the molecular formula C13H14N2OS and a molecular weight of 246.34 g/mol. Its IUPAC name is N-(3-ethyl-4-methyl-1,3-thiazol-2-ylidene)benzamide.

Molecular Properties

Compound NameN-(3-ethyl-4-methyl-1,3-thiazol-2-ylidene)benzamide
PubChem CID3235754
Molecular FormulaC13H14N2OS
Molecular Weight246.34 g/mol
Exact Mass246.08
IUPAC NameN-(3-ethyl-4-methyl-1,3-thiazol-2-ylidene)benzamide
SMILESCCn1c(C)cs/c1=N/C(=O)c1ccccc1
InChIInChI=1S/C13H14N2OS/c1-3-15-10(2)9-17-13(15)14-12(16)11-7-5-4-6-8-11/h4-9H,3H2,1-2H3/b14-13+
InChIKeyQGSJABAKNUXEDA-BUHFOSPRSA-N
XLogP2.62
TPSA34.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.34
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiaz_ene_A(128)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(3-ethyl-4-methyl-1,3-thiazol-2-ylidene)benzamide?
The IUPAC name of N-(3-ethyl-4-methyl-1,3-thiazol-2-ylidene)benzamide (CID 3235754) is N-(3-ethyl-4-methyl-1,3-thiazol-2-ylidene)benzamide.
What is the SMILES notation for N-(3-ethyl-4-methyl-1,3-thiazol-2-ylidene)benzamide?
The canonical SMILES for N-(3-ethyl-4-methyl-1,3-thiazol-2-ylidene)benzamide is CCn1c(C)cs/c1=N/C(=O)c1ccccc1.
What is the InChIKey of N-(3-ethyl-4-methyl-1,3-thiazol-2-ylidene)benzamide?
The InChIKey is QGSJABAKNUXEDA-BUHFOSPRSA-N. The full InChI is InChI=1S/C13H14N2OS/c1-3-15-10(2)9-17-13(15)14-12(16)11-7-5-4-6-8-11/h4-9H,3H2,1-2H3/b14-13+.
What are the key properties of N-(3-ethyl-4-methyl-1,3-thiazol-2-ylidene)benzamide?
N-(3-ethyl-4-methyl-1,3-thiazol-2-ylidene)benzamide has a molecular weight of 246.34 g/mol, XLogP of 2.62, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethyl-4-methyl-1,3-thiazol-2-ylidene)benzamide is sourced from PubChem (CID 3235754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).