(2S)-2-(2-methyl-6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylcyclopentan-1-one

C18H16N2OS2 — CID 7888427

IUPAC(2S)-2-(2-methyl-6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylcyclopentan-1-one
SMILESCc1nc(S[C@H]2CCCC2=O)c2cc(-c3ccccc3)sc2n1
InChIInChI=1S/C18H16N2OS2/c1-11-19-17(22-15-9-5-8-14(15)21)13-10-16(23-18(13)20-11)12-6-3-2-4-7-12/h2-4,6-7,10,15H,5,8-9H2,1H3/t15-/m0/s1
InChIKeyQFBKOVZTHHEORO-HNNXBMFYSA-N
MW340.47 g/mol
LogP4.88
Rot. Bonds3

About (2S)-2-(2-methyl-6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylcyclopentan-1-one

(2S)-2-(2-methyl-6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylcyclopentan-1-one (PubChem CID 7888427) has the molecular formula C18H16N2OS2 and a molecular weight of 340.47 g/mol. Its IUPAC name is (2S)-2-(2-methyl-6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylcyclopentan-1-one.

Molecular Properties

Compound Name(2S)-2-(2-methyl-6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylcyclopentan-1-one
PubChem CID7888427
Molecular FormulaC18H16N2OS2
Molecular Weight340.47 g/mol
Exact Mass340.07
IUPAC Name(2S)-2-(2-methyl-6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylcyclopentan-1-one
SMILESCc1nc(S[C@H]2CCCC2=O)c2cc(-c3ccccc3)sc2n1
InChIInChI=1S/C18H16N2OS2/c1-11-19-17(22-15-9-5-8-14(15)21)13-10-16(23-18(13)20-11)12-6-3-2-4-7-12/h2-4,6-7,10,15H,5,8-9H2,1H3/t15-/m0/s1
InChIKeyQFBKOVZTHHEORO-HNNXBMFYSA-N
XLogP4.88
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.47
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2-methyl-6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylcyclopentan-1-one?
The IUPAC name of (2S)-2-(2-methyl-6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylcyclopentan-1-one (CID 7888427) is (2S)-2-(2-methyl-6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylcyclopentan-1-one.
What is the SMILES notation for (2S)-2-(2-methyl-6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylcyclopentan-1-one?
The canonical SMILES for (2S)-2-(2-methyl-6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylcyclopentan-1-one is Cc1nc(S[C@H]2CCCC2=O)c2cc(-c3ccccc3)sc2n1.
What is the InChIKey of (2S)-2-(2-methyl-6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylcyclopentan-1-one?
The InChIKey is QFBKOVZTHHEORO-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H16N2OS2/c1-11-19-17(22-15-9-5-8-14(15)21)13-10-16(23-18(13)20-11)12-6-3-2-4-7-12/h2-4,6-7,10,15H,5,8-9H2,1H3/t15-/m0/s1.
What are the key properties of (2S)-2-(2-methyl-6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylcyclopentan-1-one?
(2S)-2-(2-methyl-6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylcyclopentan-1-one has a molecular weight of 340.47 g/mol, XLogP of 4.88, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2-methyl-6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylcyclopentan-1-one is sourced from PubChem (CID 7888427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).