2-(6-ethyl-4-oxo-2-propylthieno[2,3-d]pyrimidin-3-yl)ethanethioamide

C13H17N3OS2 — CID 39158848

IUPAC2-(6-ethyl-4-oxo-2-propylthieno[2,3-d]pyrimidin-3-yl)ethanethioamide
SMILESCCCc1nc2sc(CC)cc2c(=O)n1CC(N)=S
InChIInChI=1S/C13H17N3OS2/c1-3-5-11-15-12-9(6-8(4-2)19-12)13(17)16(11)7-10(14)18/h6H,3-5,7H2,1-2H3,(H2,14,18)
InChIKeyFEKSLGVUBCYAAV-UHFFFAOYSA-N
MW295.43 g/mol
LogP2.26
Rot. Bonds5

About 2-(6-ethyl-4-oxo-2-propylthieno[2,3-d]pyrimidin-3-yl)ethanethioamide

2-(6-ethyl-4-oxo-2-propylthieno[2,3-d]pyrimidin-3-yl)ethanethioamide (PubChem CID 39158848) has the molecular formula C13H17N3OS2 and a molecular weight of 295.43 g/mol. Its IUPAC name is 2-(6-ethyl-4-oxo-2-propylthieno[2,3-d]pyrimidin-3-yl)ethanethioamide.

Molecular Properties

Compound Name2-(6-ethyl-4-oxo-2-propylthieno[2,3-d]pyrimidin-3-yl)ethanethioamide
PubChem CID39158848
Molecular FormulaC13H17N3OS2
Molecular Weight295.43 g/mol
Exact Mass295.08
IUPAC Name2-(6-ethyl-4-oxo-2-propylthieno[2,3-d]pyrimidin-3-yl)ethanethioamide
SMILESCCCc1nc2sc(CC)cc2c(=O)n1CC(N)=S
InChIInChI=1S/C13H17N3OS2/c1-3-5-11-15-12-9(6-8(4-2)19-12)13(17)16(11)7-10(14)18/h6H,3-5,7H2,1-2H3,(H2,14,18)
InChIKeyFEKSLGVUBCYAAV-UHFFFAOYSA-N
XLogP2.26
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.43
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(2-benzyl-6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)ethanethioamide
CID 39158874
6-ethyl-3-(3-oxobutyl)-2-propylthieno[2,3-d]pyrimidin-4-one
CID 110832674
3-benzyl-6-ethyl-4-oxothieno[2,3-d]pyrimidine-2-carboxamide
CID 6421611
N-butyl-2-(6-ethyl-2-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-methylacetamide
CID 28692371
ethyl 2-[[2-(6-ethyl-2-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetyl]amino]-4,5-dimethylthiophene-3-carboxylate
CID 28692313
6-ethyl-2-methyl-3-propan-2-ylthieno[2,3-d]pyrimidin-4-one
CID 28692485
3-[[2-(6-ethyl-2-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetyl]-methylamino]propanoic acid
CID 82032691
ethyl 4-[(6-ethyl-2-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl)methyl]benzoate
CID 28692459
6-ethyl-4-oxo-3-[(2,2,2-trifluoroacetyl)amino]thieno[2,3-d]pyrimidine-2-carboxamide
CID 6426398
2-[6-ethyl-3-(furan-2-ylmethyl)-4-oxothieno[2,3-d]pyrimidin-2-yl]sulfanylacetamide
CID 6488794
2-(6-ethyl-2-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 28692091
(2S)-2-[6-ethyl-3-(3-methoxypropyl)-4-oxothieno[2,3-d]pyrimidin-2-yl]sulfanylpropanamide
CID 7739689

Frequently Asked Questions

What is the IUPAC name of 2-(6-ethyl-4-oxo-2-propylthieno[2,3-d]pyrimidin-3-yl)ethanethioamide?
The IUPAC name of 2-(6-ethyl-4-oxo-2-propylthieno[2,3-d]pyrimidin-3-yl)ethanethioamide (CID 39158848) is 2-(6-ethyl-4-oxo-2-propylthieno[2,3-d]pyrimidin-3-yl)ethanethioamide.
What is the SMILES notation for 2-(6-ethyl-4-oxo-2-propylthieno[2,3-d]pyrimidin-3-yl)ethanethioamide?
The canonical SMILES for 2-(6-ethyl-4-oxo-2-propylthieno[2,3-d]pyrimidin-3-yl)ethanethioamide is CCCc1nc2sc(CC)cc2c(=O)n1CC(N)=S.
What is the InChIKey of 2-(6-ethyl-4-oxo-2-propylthieno[2,3-d]pyrimidin-3-yl)ethanethioamide?
The InChIKey is FEKSLGVUBCYAAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3OS2/c1-3-5-11-15-12-9(6-8(4-2)19-12)13(17)16(11)7-10(14)18/h6H,3-5,7H2,1-2H3,(H2,14,18).
What are the key properties of 2-(6-ethyl-4-oxo-2-propylthieno[2,3-d]pyrimidin-3-yl)ethanethioamide?
2-(6-ethyl-4-oxo-2-propylthieno[2,3-d]pyrimidin-3-yl)ethanethioamide has a molecular weight of 295.43 g/mol, XLogP of 2.26, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-ethyl-4-oxo-2-propylthieno[2,3-d]pyrimidin-3-yl)ethanethioamide is sourced from PubChem (CID 39158848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).