2-(4-aminothieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-[(1R)-1-cyclopropylethyl]acetamide

C13H16N4OS2 — CID 41192192

IUPAC2-(4-aminothieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-[(1R)-1-cyclopropylethyl]acetamide
SMILESC[C@@H](NC(=O)CSc1nc(N)c2ccsc2n1)C1CC1
InChIInChI=1S/C13H16N4OS2/c1-7(8-2-3-8)15-10(18)6-20-13-16-11(14)9-4-5-19-12(9)17-13/h4-5,7-8H,2-3,6H2,1H3,(H,15,18)(H2,14,16,17)/t7-/m1/s1
InChIKeyYGWBDVZHTVRKCK-SSDOTTSWSA-N
MW308.43 g/mol
LogP2.28
Rot. Bonds5

About 2-(4-aminothieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-[(1R)-1-cyclopropylethyl]acetamide

2-(4-aminothieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-[(1R)-1-cyclopropylethyl]acetamide (PubChem CID 41192192) has the molecular formula C13H16N4OS2 and a molecular weight of 308.43 g/mol. Its IUPAC name is 2-(4-aminothieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-[(1R)-1-cyclopropylethyl]acetamide.

Molecular Properties

Compound Name2-(4-aminothieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-[(1R)-1-cyclopropylethyl]acetamide
PubChem CID41192192
Molecular FormulaC13H16N4OS2
Molecular Weight308.43 g/mol
Exact Mass308.08
IUPAC Name2-(4-aminothieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-[(1R)-1-cyclopropylethyl]acetamide
SMILESC[C@@H](NC(=O)CSc1nc(N)c2ccsc2n1)C1CC1
InChIInChI=1S/C13H16N4OS2/c1-7(8-2-3-8)15-10(18)6-20-13-16-11(14)9-4-5-19-12(9)17-13/h4-5,7-8H,2-3,6H2,1H3,(H,15,18)(H2,14,16,17)/t7-/m1/s1
InChIKeyYGWBDVZHTVRKCK-SSDOTTSWSA-N
XLogP2.28
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.43
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(4-aminothieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-[(1R)-1-cyclopropylethyl]acetamide?
The IUPAC name of 2-(4-aminothieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-[(1R)-1-cyclopropylethyl]acetamide (CID 41192192) is 2-(4-aminothieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-[(1R)-1-cyclopropylethyl]acetamide.
What is the SMILES notation for 2-(4-aminothieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-[(1R)-1-cyclopropylethyl]acetamide?
The canonical SMILES for 2-(4-aminothieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-[(1R)-1-cyclopropylethyl]acetamide is C[C@@H](NC(=O)CSc1nc(N)c2ccsc2n1)C1CC1.
What is the InChIKey of 2-(4-aminothieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-[(1R)-1-cyclopropylethyl]acetamide?
The InChIKey is YGWBDVZHTVRKCK-SSDOTTSWSA-N. The full InChI is InChI=1S/C13H16N4OS2/c1-7(8-2-3-8)15-10(18)6-20-13-16-11(14)9-4-5-19-12(9)17-13/h4-5,7-8H,2-3,6H2,1H3,(H,15,18)(H2,14,16,17)/t7-/m1/s1.
What are the key properties of 2-(4-aminothieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-[(1R)-1-cyclopropylethyl]acetamide?
2-(4-aminothieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-[(1R)-1-cyclopropylethyl]acetamide has a molecular weight of 308.43 g/mol, XLogP of 2.28, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminothieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-[(1R)-1-cyclopropylethyl]acetamide is sourced from PubChem (CID 41192192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).