N-[(3-pyridin-2-yl-3-thiophen-2-ylpropyl)carbamothioyl]benzamide

C20H19N3OS2 — CID 14660400

IUPACN-[(3-pyridin-2-yl-3-thiophen-2-ylpropyl)carbamothioyl]benzamide
SMILESO=C(NC(=S)NCCC(c1ccccn1)c1cccs1)c1ccccc1
InChIInChI=1S/C20H19N3OS2/c24-19(15-7-2-1-3-8-15)23-20(25)22-13-11-16(18-10-6-14-26-18)17-9-4-5-12-21-17/h1-10,12,14,16H,11,13H2,(H2,22,23,24,25)
InChIKeyHUZDPBVZFXYUIG-UHFFFAOYSA-N
MW381.53 g/mol
LogP3.97
Rot. Bonds6

About N-[(3-pyridin-2-yl-3-thiophen-2-ylpropyl)carbamothioyl]benzamide

N-[(3-pyridin-2-yl-3-thiophen-2-ylpropyl)carbamothioyl]benzamide (PubChem CID 14660400) has the molecular formula C20H19N3OS2 and a molecular weight of 381.53 g/mol. Its IUPAC name is N-[(3-pyridin-2-yl-3-thiophen-2-ylpropyl)carbamothioyl]benzamide.

Molecular Properties

Compound NameN-[(3-pyridin-2-yl-3-thiophen-2-ylpropyl)carbamothioyl]benzamide
PubChem CID14660400
Molecular FormulaC20H19N3OS2
Molecular Weight381.53 g/mol
Exact Mass381.10
IUPAC NameN-[(3-pyridin-2-yl-3-thiophen-2-ylpropyl)carbamothioyl]benzamide
SMILESO=C(NC(=S)NCCC(c1ccccn1)c1cccs1)c1ccccc1
InChIInChI=1S/C20H19N3OS2/c24-19(15-7-2-1-3-8-15)23-20(25)22-13-11-16(18-10-6-14-26-18)17-9-4-5-12-21-17/h1-10,12,14,16H,11,13H2,(H2,22,23,24,25)
InChIKeyHUZDPBVZFXYUIG-UHFFFAOYSA-N
XLogP3.97
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.53
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-[(3-pyridin-2-yl-3-thiophen-2-ylpropyl)carbamothioyl]benzamide?
The IUPAC name of N-[(3-pyridin-2-yl-3-thiophen-2-ylpropyl)carbamothioyl]benzamide (CID 14660400) is N-[(3-pyridin-2-yl-3-thiophen-2-ylpropyl)carbamothioyl]benzamide.
What is the SMILES notation for N-[(3-pyridin-2-yl-3-thiophen-2-ylpropyl)carbamothioyl]benzamide?
The canonical SMILES for N-[(3-pyridin-2-yl-3-thiophen-2-ylpropyl)carbamothioyl]benzamide is O=C(NC(=S)NCCC(c1ccccn1)c1cccs1)c1ccccc1.
What is the InChIKey of N-[(3-pyridin-2-yl-3-thiophen-2-ylpropyl)carbamothioyl]benzamide?
The InChIKey is HUZDPBVZFXYUIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3OS2/c24-19(15-7-2-1-3-8-15)23-20(25)22-13-11-16(18-10-6-14-26-18)17-9-4-5-12-21-17/h1-10,12,14,16H,11,13H2,(H2,22,23,24,25).
What are the key properties of N-[(3-pyridin-2-yl-3-thiophen-2-ylpropyl)carbamothioyl]benzamide?
N-[(3-pyridin-2-yl-3-thiophen-2-ylpropyl)carbamothioyl]benzamide has a molecular weight of 381.53 g/mol, XLogP of 3.97, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-pyridin-2-yl-3-thiophen-2-ylpropyl)carbamothioyl]benzamide is sourced from PubChem (CID 14660400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).