N-(3-ethyl-4-phenyl-1,3-thiazol-2-ylidene)thiophene-2-carboxamide

C16H14N2OS2 — CID 71528581

IUPACN-(3-ethyl-4-phenyl-1,3-thiazol-2-ylidene)thiophene-2-carboxamide
SMILESCCn1c(-c2ccccc2)cs/c1=N\C(=O)c1cccs1
InChIInChI=1S/C16H14N2OS2/c1-2-18-13(12-7-4-3-5-8-12)11-21-16(18)17-15(19)14-9-6-10-20-14/h3-11H,2H2,1H3/b17-16-
InChIKeyRAKBYWOOGSULCA-MSUUIHNZSA-N
MW314.44 g/mol
LogP4.04
Rot. Bonds3

About N-(3-ethyl-4-phenyl-1,3-thiazol-2-ylidene)thiophene-2-carboxamide

N-(3-ethyl-4-phenyl-1,3-thiazol-2-ylidene)thiophene-2-carboxamide (PubChem CID 71528581) has the molecular formula C16H14N2OS2 and a molecular weight of 314.44 g/mol. Its IUPAC name is N-(3-ethyl-4-phenyl-1,3-thiazol-2-ylidene)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(3-ethyl-4-phenyl-1,3-thiazol-2-ylidene)thiophene-2-carboxamide
PubChem CID71528581
Molecular FormulaC16H14N2OS2
Molecular Weight314.44 g/mol
Exact Mass314.05
IUPAC NameN-(3-ethyl-4-phenyl-1,3-thiazol-2-ylidene)thiophene-2-carboxamide
SMILESCCn1c(-c2ccccc2)cs/c1=N\C(=O)c1cccs1
InChIInChI=1S/C16H14N2OS2/c1-2-18-13(12-7-4-3-5-8-12)11-21-16(18)17-15(19)14-9-6-10-20-14/h3-11H,2H2,1H3/b17-16-
InChIKeyRAKBYWOOGSULCA-MSUUIHNZSA-N
XLogP4.04
TPSA34.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.44
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-phenyl-1,3-thiazol-2-ylidene)thiophene-2-carboxamide?
The IUPAC name of N-(3-ethyl-4-phenyl-1,3-thiazol-2-ylidene)thiophene-2-carboxamide (CID 71528581) is N-(3-ethyl-4-phenyl-1,3-thiazol-2-ylidene)thiophene-2-carboxamide.
What is the SMILES notation for N-(3-ethyl-4-phenyl-1,3-thiazol-2-ylidene)thiophene-2-carboxamide?
The canonical SMILES for N-(3-ethyl-4-phenyl-1,3-thiazol-2-ylidene)thiophene-2-carboxamide is CCn1c(-c2ccccc2)cs/c1=N\C(=O)c1cccs1.
What is the InChIKey of N-(3-ethyl-4-phenyl-1,3-thiazol-2-ylidene)thiophene-2-carboxamide?
The InChIKey is RAKBYWOOGSULCA-MSUUIHNZSA-N. The full InChI is InChI=1S/C16H14N2OS2/c1-2-18-13(12-7-4-3-5-8-12)11-21-16(18)17-15(19)14-9-6-10-20-14/h3-11H,2H2,1H3/b17-16-.
What are the key properties of N-(3-ethyl-4-phenyl-1,3-thiazol-2-ylidene)thiophene-2-carboxamide?
N-(3-ethyl-4-phenyl-1,3-thiazol-2-ylidene)thiophene-2-carboxamide has a molecular weight of 314.44 g/mol, XLogP of 4.04, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethyl-4-phenyl-1,3-thiazol-2-ylidene)thiophene-2-carboxamide is sourced from PubChem (CID 71528581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).