2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one

C18H17N3O3S2 — CID 2222282

IUPAC2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one
SMILESO=C(CSc1nc2scc(-c3ccccc3)c2c(=O)[nH]1)N1CCOCC1
InChIInChI=1S/C18H17N3O3S2/c22-14(21-6-8-24-9-7-21)11-26-18-19-16(23)15-13(10-25-17(15)20-18)12-4-2-1-3-5-12/h1-5,10H,6-9,11H2,(H,19,20,23)
InChIKeyRHQFMXUIKVEHFK-UHFFFAOYSA-N
MW387.49 g/mol
LogP2.60
Rot. Bonds4

About 2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one

2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one (PubChem CID 2222282) has the molecular formula C18H17N3O3S2 and a molecular weight of 387.49 g/mol. Its IUPAC name is 2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one
PubChem CID2222282
Molecular FormulaC18H17N3O3S2
Molecular Weight387.49 g/mol
Exact Mass387.07
IUPAC Name2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one
SMILESO=C(CSc1nc2scc(-c3ccccc3)c2c(=O)[nH]1)N1CCOCC1
InChIInChI=1S/C18H17N3O3S2/c22-14(21-6-8-24-9-7-21)11-26-18-19-16(23)15-13(10-25-17(15)20-18)12-4-2-1-3-5-12/h1-5,10H,6-9,11H2,(H,19,20,23)
InChIKeyRHQFMXUIKVEHFK-UHFFFAOYSA-N
XLogP2.60
TPSA75.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.49
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one with MolForge

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Related Compounds

5-phenyl-3H,4H-thieno[2,3-d]pyrimidin-4-one
CID 215639
2-(morpholin-4-ylmethyl)-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one
CID 2096690
5,6-dimethyl-2-{[2-(morpholin-4-yl)-2-oxoethyl]sulfanyl}-3H,4H-thieno[2,3-d]pyrimidin-4-one
CID 674097
(1)Benzothieno(2,3-d)pyrimidin-4(3H)-one, 5,6,7,8-tetrahydro-2-(4-morpholinylmethyl)-
CID 210054
(4-Oxo-5-p-tolyl-4H-thieno[2,3-d]pyrimidin-3-yl)-acetic acid methyl ester
CID 709170
N-methyl-2-[(4-oxo-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)sulfanyl]-N-phenylacetamide
CID 2102984
3-allyl-5-phenylthieno[2,3-d]pyrimidin-4(3H)-one
CID 731336
3-butyl-2-[(2-oxo-2-phenylethyl)sulfanyl]-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
CID 2247876
Ethyl {[3-(3-morpholin-4-ylpropyl)-4-oxo-3,4-dihydro[1]benzothieno[3,2-d]pyrimidin-2-yl]thio}acetate
CID 3243922
3-allyl-2-{[2-(4-morpholinyl)-2-oxoethyl]thio}-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
CID 1123742
3-(2-Methylprop-2-enyl)-2-phenacylsulfanyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one
CID 1130142
4-Methyl-3-(morpholine-4-carbonyl)-5-phenylthiophen-2-amine
CID 2120324

Frequently Asked Questions

What is the IUPAC name of 2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one?
The IUPAC name of 2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one (CID 2222282) is 2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one?
The canonical SMILES for 2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one is O=C(CSc1nc2scc(-c3ccccc3)c2c(=O)[nH]1)N1CCOCC1.
What is the InChIKey of 2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one?
The InChIKey is RHQFMXUIKVEHFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O3S2/c22-14(21-6-8-24-9-7-21)11-26-18-19-16(23)15-13(10-25-17(15)20-18)12-4-2-1-3-5-12/h1-5,10H,6-9,11H2,(H,19,20,23).
What are the key properties of 2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one?
2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one has a molecular weight of 387.49 g/mol, XLogP of 2.60, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 2222282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).