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

C15H13N3OS2 — CID 50940930

IUPACN-(4,6-dithiophen-2-ylpyrimidin-2-yl)propanamide
SMILESCCC(=O)Nc1nc(-c2cccs2)cc(-c2cccs2)n1
InChIInChI=1S/C15H13N3OS2/c1-2-14(19)18-15-16-10(12-5-3-7-20-12)9-11(17-15)13-6-4-8-21-13/h3-9H,2H2,1H3,(H,16,17,18,19)
InChIKeyXKXBWDHLKLDJMS-UHFFFAOYSA-N
MW315.42 g/mol
LogP4.28
Rot. Bonds4

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

N-(4,6-dithiophen-2-ylpyrimidin-2-yl)propanamide (PubChem CID 50940930) has the molecular formula C15H13N3OS2 and a molecular weight of 315.42 g/mol. Its IUPAC name is N-(4,6-dithiophen-2-ylpyrimidin-2-yl)propanamide.

Molecular Properties

Compound NameN-(4,6-dithiophen-2-ylpyrimidin-2-yl)propanamide
PubChem CID50940930
Molecular FormulaC15H13N3OS2
Molecular Weight315.42 g/mol
Exact Mass315.05
IUPAC NameN-(4,6-dithiophen-2-ylpyrimidin-2-yl)propanamide
SMILESCCC(=O)Nc1nc(-c2cccs2)cc(-c2cccs2)n1
InChIInChI=1S/C15H13N3OS2/c1-2-14(19)18-15-16-10(12-5-3-7-20-12)9-11(17-15)13-6-4-8-21-13/h3-9H,2H2,1H3,(H,16,17,18,19)
InChIKeyXKXBWDHLKLDJMS-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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Related Compounds

N-(7-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)propanamide
CID 58894131
4-amino-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)pentanamide
CID 120558829
2-chloro-N-[6-(1,3-thiazol-2-yl)-2-thiophen-2-ylpyrimidin-4-yl]acetamide
CID 59840919
methyl 2-(4-methyl-6-thiophen-2-ylpyrimidin-2-yl)acetate
CID 116895161
N-[2-chloro-5-(propanoylamino)phenyl]-1,3-dimethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 55799425
N-[4-phenyl-6-(propanoylamino)-1,3,5-triazin-2-yl]propanamide
CID 21177324
2-(2-methyl-1,3-thiazol-4-yl)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)acetamide
CID 29456306
2-(3,4-dichlorophenyl)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)acetamide
CID 7915774
3-methyl-N,N'-bis(4-thiophen-2-yl-1,3-thiazol-2-yl)hexanediamide
CID 112830370
2-naphthalen-2-yl-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)acetamide
CID 16849310
N-(5-thiophen-2-yl-1H-pyrazol-3-yl)pentanamide
CID 47343840
[4-thiophen-2-yl-6-(trifluoromethyl)pyrimidin-2-yl]thiourea
CID 71670383

Frequently Asked Questions

What is the IUPAC name of N-(4,6-dithiophen-2-ylpyrimidin-2-yl)propanamide?
The IUPAC name of N-(4,6-dithiophen-2-ylpyrimidin-2-yl)propanamide (CID 50940930) is N-(4,6-dithiophen-2-ylpyrimidin-2-yl)propanamide.
What is the SMILES notation for N-(4,6-dithiophen-2-ylpyrimidin-2-yl)propanamide?
The canonical SMILES for N-(4,6-dithiophen-2-ylpyrimidin-2-yl)propanamide is CCC(=O)Nc1nc(-c2cccs2)cc(-c2cccs2)n1.
What is the InChIKey of N-(4,6-dithiophen-2-ylpyrimidin-2-yl)propanamide?
The InChIKey is XKXBWDHLKLDJMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3OS2/c1-2-14(19)18-15-16-10(12-5-3-7-20-12)9-11(17-15)13-6-4-8-21-13/h3-9H,2H2,1H3,(H,16,17,18,19).
What are the key properties of N-(4,6-dithiophen-2-ylpyrimidin-2-yl)propanamide?
N-(4,6-dithiophen-2-ylpyrimidin-2-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-(4,6-dithiophen-2-ylpyrimidin-2-yl)propanamide is sourced from PubChem (CID 50940930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).