N-(2,6-dithiophen-2-ylpyrimidin-4-yl)propanamide

C15H13N3OS2 — CID 50940979

IUPACN-(2,6-dithiophen-2-ylpyrimidin-4-yl)propanamide
SMILESCCC(=O)Nc1cc(-c2cccs2)nc(-c2cccs2)n1
InChIInChI=1S/C15H13N3OS2/c1-2-14(19)17-13-9-10(11-5-3-7-20-11)16-15(18-13)12-6-4-8-21-12/h3-9H,2H2,1H3,(H,16,17,18,19)
InChIKeyHPHNCACRSQYJMW-UHFFFAOYSA-N
MW315.42 g/mol
LogP4.28
Rot. Bonds4

About N-(2,6-dithiophen-2-ylpyrimidin-4-yl)propanamide

N-(2,6-dithiophen-2-ylpyrimidin-4-yl)propanamide (PubChem CID 50940979) has the molecular formula C15H13N3OS2 and a molecular weight of 315.42 g/mol. Its IUPAC name is N-(2,6-dithiophen-2-ylpyrimidin-4-yl)propanamide.

Molecular Properties

Compound NameN-(2,6-dithiophen-2-ylpyrimidin-4-yl)propanamide
PubChem CID50940979
Molecular FormulaC15H13N3OS2
Molecular Weight315.42 g/mol
Exact Mass315.05
IUPAC NameN-(2,6-dithiophen-2-ylpyrimidin-4-yl)propanamide
SMILESCCC(=O)Nc1cc(-c2cccs2)nc(-c2cccs2)n1
InChIInChI=1S/C15H13N3OS2/c1-2-14(19)17-13-9-10(11-5-3-7-20-11)16-15(18-13)12-6-4-8-21-12/h3-9H,2H2,1H3,(H,16,17,18,19)
InChIKeyHPHNCACRSQYJMW-UHFFFAOYSA-N
XLogP4.28
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2,6-dithiophen-2-ylpyrimidin-4-yl)propanamide?
The IUPAC name of N-(2,6-dithiophen-2-ylpyrimidin-4-yl)propanamide (CID 50940979) is N-(2,6-dithiophen-2-ylpyrimidin-4-yl)propanamide.
What is the SMILES notation for N-(2,6-dithiophen-2-ylpyrimidin-4-yl)propanamide?
The canonical SMILES for N-(2,6-dithiophen-2-ylpyrimidin-4-yl)propanamide is CCC(=O)Nc1cc(-c2cccs2)nc(-c2cccs2)n1.
What is the InChIKey of N-(2,6-dithiophen-2-ylpyrimidin-4-yl)propanamide?
The InChIKey is HPHNCACRSQYJMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3OS2/c1-2-14(19)17-13-9-10(11-5-3-7-20-11)16-15(18-13)12-6-4-8-21-12/h3-9H,2H2,1H3,(H,16,17,18,19).
What are the key properties of N-(2,6-dithiophen-2-ylpyrimidin-4-yl)propanamide?
N-(2,6-dithiophen-2-ylpyrimidin-4-yl)propanamide has a molecular weight of 315.42 g/mol, XLogP of 4.28, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dithiophen-2-ylpyrimidin-4-yl)propanamide is sourced from PubChem (CID 50940979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).