(2S)-2-(2-chlorophenyl)-5-phenyl-2,3-dihydro-1H-thieno[2,3-d]pyrimidin-4-one

C18H13ClN2OS — CID 7288059

IUPAC(2S)-2-(2-chlorophenyl)-5-phenyl-2,3-dihydro-1H-thieno[2,3-d]pyrimidin-4-one
SMILESO=C1N[C@H](c2ccccc2Cl)Nc2scc(-c3ccccc3)c21
InChIInChI=1S/C18H13ClN2OS/c19-14-9-5-4-8-12(14)16-20-17(22)15-13(10-23-18(15)21-16)11-6-2-1-3-7-11/h1-10,16,21H,(H,20,22)/t16-/m0/s1
InChIKeyCYKULYUIDFGZSL-INIZCTEOSA-N
MW340.84 g/mol
LogP4.92
Rot. Bonds2

About (2S)-2-(2-chlorophenyl)-5-phenyl-2,3-dihydro-1H-thieno[2,3-d]pyrimidin-4-one

(2S)-2-(2-chlorophenyl)-5-phenyl-2,3-dihydro-1H-thieno[2,3-d]pyrimidin-4-one (PubChem CID 7288059) has the molecular formula C18H13ClN2OS and a molecular weight of 340.84 g/mol. Its IUPAC name is (2S)-2-(2-chlorophenyl)-5-phenyl-2,3-dihydro-1H-thieno[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name(2S)-2-(2-chlorophenyl)-5-phenyl-2,3-dihydro-1H-thieno[2,3-d]pyrimidin-4-one
PubChem CID7288059
Molecular FormulaC18H13ClN2OS
Molecular Weight340.84 g/mol
Exact Mass340.04
IUPAC Name(2S)-2-(2-chlorophenyl)-5-phenyl-2,3-dihydro-1H-thieno[2,3-d]pyrimidin-4-one
SMILESO=C1N[C@H](c2ccccc2Cl)Nc2scc(-c3ccccc3)c21
InChIInChI=1S/C18H13ClN2OS/c19-14-9-5-4-8-12(14)16-20-17(22)15-13(10-23-18(15)21-16)11-6-2-1-3-7-11/h1-10,16,21H,(H,20,22)/t16-/m0/s1
InChIKeyCYKULYUIDFGZSL-INIZCTEOSA-N
XLogP4.92
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.84
LogP ≤ 54.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-(4-methoxyphenyl)-5-phenyl-2,3-dihydro-1H-thieno[2,3-d]pyrimidin-4-one
CID 7288086
(2R)-2-(4-hydroxy-3-methoxyphenyl)-5-phenyl-2,3-dihydro-1H-thieno[2,3-d]pyrimidin-4-one
CID 7288093
5-(2-chlorophenyl)-11-methyl-8-thia-4,6-diaza-11-azoniatricyclo[7.4.0.02,7]trideca-1(9),2(7)-dien-3-one
CID 4290762
(5S)-11-benzyl-5-(2-chlorophenyl)-8-thia-4,6-diaza-11-azoniatricyclo[7.4.0.02,7]trideca-1(9),2(7)-dien-3-one
CID 7270785
11-benzyl-5-(2-chlorophenyl)-8-thia-4,6-diaza-11-azoniatricyclo[7.4.0.02,7]trideca-1(9),2(7)-dien-3-one
CID 3479417
5-(2-chlorophenyl)-3-phenyl-2-sulfanylidene-5,6-dihydro-4H-[1,3]thiazolo[4,5-d]pyrimidin-7-one
CID 2859854
3-oxo-4-phenyl-1,2-dihydroisoindole-1-carboxamide
CID 141201361
4-phenyldithiol-3-one
CID 606553
4-(2-chlorophenyl)cyclohexan-1-one
CID 19705258
2-(2-chlorophenyl)-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one
CID 28868492
8-methyl-2-(2-phenyl-1,3-thiazol-4-yl)-2,3-dihydro-1H-quinazolin-4-one
CID 86928521
(7S)-7-(2-chlorophenyl)-3-(3-fluorophenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one
CID 94086467

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2-chlorophenyl)-5-phenyl-2,3-dihydro-1H-thieno[2,3-d]pyrimidin-4-one?
The IUPAC name of (2S)-2-(2-chlorophenyl)-5-phenyl-2,3-dihydro-1H-thieno[2,3-d]pyrimidin-4-one (CID 7288059) is (2S)-2-(2-chlorophenyl)-5-phenyl-2,3-dihydro-1H-thieno[2,3-d]pyrimidin-4-one.
What is the SMILES notation for (2S)-2-(2-chlorophenyl)-5-phenyl-2,3-dihydro-1H-thieno[2,3-d]pyrimidin-4-one?
The canonical SMILES for (2S)-2-(2-chlorophenyl)-5-phenyl-2,3-dihydro-1H-thieno[2,3-d]pyrimidin-4-one is O=C1N[C@H](c2ccccc2Cl)Nc2scc(-c3ccccc3)c21.
What is the InChIKey of (2S)-2-(2-chlorophenyl)-5-phenyl-2,3-dihydro-1H-thieno[2,3-d]pyrimidin-4-one?
The InChIKey is CYKULYUIDFGZSL-INIZCTEOSA-N. The full InChI is InChI=1S/C18H13ClN2OS/c19-14-9-5-4-8-12(14)16-20-17(22)15-13(10-23-18(15)21-16)11-6-2-1-3-7-11/h1-10,16,21H,(H,20,22)/t16-/m0/s1.
What are the key properties of (2S)-2-(2-chlorophenyl)-5-phenyl-2,3-dihydro-1H-thieno[2,3-d]pyrimidin-4-one?
(2S)-2-(2-chlorophenyl)-5-phenyl-2,3-dihydro-1H-thieno[2,3-d]pyrimidin-4-one has a molecular weight of 340.84 g/mol, XLogP of 4.92, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2-chlorophenyl)-5-phenyl-2,3-dihydro-1H-thieno[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 7288059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).