N,2-diphenylethanethioamide

C14H13NS — CID 3382645

IUPACN,2-diphenylethanethioamide
SMILESS=C(Cc1ccccc1)Nc1ccccc1
InChIInChI=1S/C14H13NS/c16-14(11-12-7-3-1-4-8-12)15-13-9-5-2-6-10-13/h1-10H,11H2,(H,15,16)
InChIKeyDBWIGILQUWIQTL-UHFFFAOYSA-N
MW227.33 g/mol
LogP3.67
Rot. Bonds3

About N,2-diphenylethanethioamide

N,2-diphenylethanethioamide (PubChem CID 3382645) has the molecular formula C14H13NS and a molecular weight of 227.33 g/mol. Its IUPAC name is N,2-diphenylethanethioamide.

Molecular Properties

Compound NameN,2-diphenylethanethioamide
PubChem CID3382645
Molecular FormulaC14H13NS
Molecular Weight227.33 g/mol
Exact Mass227.08
IUPAC NameN,2-diphenylethanethioamide
SMILESS=C(Cc1ccccc1)Nc1ccccc1
InChIInChI=1S/C14H13NS/c16-14(11-12-7-3-1-4-8-12)15-13-9-5-2-6-10-13/h1-10H,11H2,(H,15,16)
InChIKeyDBWIGILQUWIQTL-UHFFFAOYSA-N
XLogP3.67
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.33
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,2-diphenylethanethioamide?
The IUPAC name of N,2-diphenylethanethioamide (CID 3382645) is N,2-diphenylethanethioamide.
What is the SMILES notation for N,2-diphenylethanethioamide?
The canonical SMILES for N,2-diphenylethanethioamide is S=C(Cc1ccccc1)Nc1ccccc1.
What is the InChIKey of N,2-diphenylethanethioamide?
The InChIKey is DBWIGILQUWIQTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NS/c16-14(11-12-7-3-1-4-8-12)15-13-9-5-2-6-10-13/h1-10H,11H2,(H,15,16).
What are the key properties of N,2-diphenylethanethioamide?
N,2-diphenylethanethioamide has a molecular weight of 227.33 g/mol, XLogP of 3.67, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-diphenylethanethioamide is sourced from PubChem (CID 3382645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).