2-(4-amino-5-phenylthieno[2,3-d]pyrimidin-2-yl)sulfanyl-1-piperidin-1-ylethanone

C19H20N4OS2 — CID 42537287

IUPAC2-(4-amino-5-phenylthieno[2,3-d]pyrimidin-2-yl)sulfanyl-1-piperidin-1-ylethanone
SMILESNc1nc(SCC(=O)N2CCCCC2)nc2scc(-c3ccccc3)c12
InChIInChI=1S/C19H20N4OS2/c20-17-16-14(13-7-3-1-4-8-13)11-25-18(16)22-19(21-17)26-12-15(24)23-9-5-2-6-10-23/h1,3-4,7-8,11H,2,5-6,9-10,12H2,(H2,20,21,22)
InChIKeyZKNZIWYOBGDNSH-UHFFFAOYSA-N
MW384.53 g/mol
LogP4.05
Rot. Bonds4

About 2-(4-amino-5-phenylthieno[2,3-d]pyrimidin-2-yl)sulfanyl-1-piperidin-1-ylethanone

2-(4-amino-5-phenylthieno[2,3-d]pyrimidin-2-yl)sulfanyl-1-piperidin-1-ylethanone (PubChem CID 42537287) has the molecular formula C19H20N4OS2 and a molecular weight of 384.53 g/mol. Its IUPAC name is 2-(4-amino-5-phenylthieno[2,3-d]pyrimidin-2-yl)sulfanyl-1-piperidin-1-ylethanone.

Molecular Properties

Compound Name2-(4-amino-5-phenylthieno[2,3-d]pyrimidin-2-yl)sulfanyl-1-piperidin-1-ylethanone
PubChem CID42537287
Molecular FormulaC19H20N4OS2
Molecular Weight384.53 g/mol
Exact Mass384.11
IUPAC Name2-(4-amino-5-phenylthieno[2,3-d]pyrimidin-2-yl)sulfanyl-1-piperidin-1-ylethanone
SMILESNc1nc(SCC(=O)N2CCCCC2)nc2scc(-c3ccccc3)c12
InChIInChI=1S/C19H20N4OS2/c20-17-16-14(13-7-3-1-4-8-13)11-25-18(16)22-19(21-17)26-12-15(24)23-9-5-2-6-10-23/h1,3-4,7-8,11H,2,5-6,9-10,12H2,(H2,20,21,22)
InChIKeyZKNZIWYOBGDNSH-UHFFFAOYSA-N
XLogP4.05
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.53
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-5-phenylthieno[2,3-d]pyrimidin-2-yl)sulfanyl-1-piperidin-1-ylethanone?
The IUPAC name of 2-(4-amino-5-phenylthieno[2,3-d]pyrimidin-2-yl)sulfanyl-1-piperidin-1-ylethanone (CID 42537287) is 2-(4-amino-5-phenylthieno[2,3-d]pyrimidin-2-yl)sulfanyl-1-piperidin-1-ylethanone.
What is the SMILES notation for 2-(4-amino-5-phenylthieno[2,3-d]pyrimidin-2-yl)sulfanyl-1-piperidin-1-ylethanone?
The canonical SMILES for 2-(4-amino-5-phenylthieno[2,3-d]pyrimidin-2-yl)sulfanyl-1-piperidin-1-ylethanone is Nc1nc(SCC(=O)N2CCCCC2)nc2scc(-c3ccccc3)c12.
What is the InChIKey of 2-(4-amino-5-phenylthieno[2,3-d]pyrimidin-2-yl)sulfanyl-1-piperidin-1-ylethanone?
The InChIKey is ZKNZIWYOBGDNSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4OS2/c20-17-16-14(13-7-3-1-4-8-13)11-25-18(16)22-19(21-17)26-12-15(24)23-9-5-2-6-10-23/h1,3-4,7-8,11H,2,5-6,9-10,12H2,(H2,20,21,22).
What are the key properties of 2-(4-amino-5-phenylthieno[2,3-d]pyrimidin-2-yl)sulfanyl-1-piperidin-1-ylethanone?
2-(4-amino-5-phenylthieno[2,3-d]pyrimidin-2-yl)sulfanyl-1-piperidin-1-ylethanone has a molecular weight of 384.53 g/mol, XLogP of 4.05, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-5-phenylthieno[2,3-d]pyrimidin-2-yl)sulfanyl-1-piperidin-1-ylethanone is sourced from PubChem (CID 42537287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).