N-phenyl-3-thiophen-2-ylprop-2-enethioamide

C13H11NS2 — CID 74028881

IUPACN-phenyl-3-thiophen-2-ylprop-2-enethioamide
SMILESS=C(C=Cc1cccs1)Nc1ccccc1
InChIInChI=1S/C13H11NS2/c15-13(9-8-12-7-4-10-16-12)14-11-5-2-1-3-6-11/h1-10H,(H,14,15)
InChIKeySJLTVCUABBTZPK-UHFFFAOYSA-N
MW245.37 g/mol
LogP4.20
Rot. Bonds3

About N-phenyl-3-thiophen-2-ylprop-2-enethioamide

N-phenyl-3-thiophen-2-ylprop-2-enethioamide (PubChem CID 74028881) has the molecular formula C13H11NS2 and a molecular weight of 245.37 g/mol. Its IUPAC name is N-phenyl-3-thiophen-2-ylprop-2-enethioamide.

Molecular Properties

Compound NameN-phenyl-3-thiophen-2-ylprop-2-enethioamide
PubChem CID74028881
Molecular FormulaC13H11NS2
Molecular Weight245.37 g/mol
Exact Mass245.03
IUPAC NameN-phenyl-3-thiophen-2-ylprop-2-enethioamide
SMILESS=C(C=Cc1cccs1)Nc1ccccc1
InChIInChI=1S/C13H11NS2/c15-13(9-8-12-7-4-10-16-12)14-11-5-2-1-3-6-11/h1-10H,(H,14,15)
InChIKeySJLTVCUABBTZPK-UHFFFAOYSA-N
XLogP4.20
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-phenyl-3-thiophen-2-ylprop-2-enethioamide?
The IUPAC name of N-phenyl-3-thiophen-2-ylprop-2-enethioamide (CID 74028881) is N-phenyl-3-thiophen-2-ylprop-2-enethioamide.
What is the SMILES notation for N-phenyl-3-thiophen-2-ylprop-2-enethioamide?
The canonical SMILES for N-phenyl-3-thiophen-2-ylprop-2-enethioamide is S=C(C=Cc1cccs1)Nc1ccccc1.
What is the InChIKey of N-phenyl-3-thiophen-2-ylprop-2-enethioamide?
The InChIKey is SJLTVCUABBTZPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11NS2/c15-13(9-8-12-7-4-10-16-12)14-11-5-2-1-3-6-11/h1-10H,(H,14,15).
What are the key properties of N-phenyl-3-thiophen-2-ylprop-2-enethioamide?
N-phenyl-3-thiophen-2-ylprop-2-enethioamide has a molecular weight of 245.37 g/mol, XLogP of 4.20, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-3-thiophen-2-ylprop-2-enethioamide is sourced from PubChem (CID 74028881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).