3-[2-(azetidin-1-yl)-2-oxoethyl]-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-one

C15H13N3O2S2 — CID 134015611

IUPAC3-[2-(azetidin-1-yl)-2-oxoethyl]-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-one
SMILESO=C(Cn1cnc2scc(-c3cccs3)c2c1=O)N1CCC1
InChIInChI=1S/C15H13N3O2S2/c19-12(17-4-2-5-17)7-18-9-16-14-13(15(18)20)10(8-22-14)11-3-1-6-21-11/h1,3,6,8-9H,2,4-5,7H2
InChIKeyMAMKHPBRNYWQKE-UHFFFAOYSA-N
MW331.42 g/mol
LogP2.42
Rot. Bonds3

About 3-[2-(azetidin-1-yl)-2-oxoethyl]-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-one

3-[2-(azetidin-1-yl)-2-oxoethyl]-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-one (PubChem CID 134015611) has the molecular formula C15H13N3O2S2 and a molecular weight of 331.42 g/mol. Its IUPAC name is 3-[2-(azetidin-1-yl)-2-oxoethyl]-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name3-[2-(azetidin-1-yl)-2-oxoethyl]-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-one
PubChem CID134015611
Molecular FormulaC15H13N3O2S2
Molecular Weight331.42 g/mol
Exact Mass331.04
IUPAC Name3-[2-(azetidin-1-yl)-2-oxoethyl]-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-one
SMILESO=C(Cn1cnc2scc(-c3cccs3)c2c1=O)N1CCC1
InChIInChI=1S/C15H13N3O2S2/c19-12(17-4-2-5-17)7-18-9-16-14-13(15(18)20)10(8-22-14)11-3-1-6-21-11/h1,3,6,8-9H,2,4-5,7H2
InChIKeyMAMKHPBRNYWQKE-UHFFFAOYSA-N
XLogP2.42
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-[2-(4-aminopiperidin-1-yl)-2-oxoethyl]-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-one
CID 119372831
3-[2-[3-(aminomethyl)pyrrolidin-1-yl]-2-oxoethyl]-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-one;hydrochloride
CID 119483247
3-[2-oxo-2-(2-pyridin-4-ylazepan-1-yl)ethyl]-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-one
CID 55764409
N-cycloheptyl-2-(4-oxo-5-thiophen-2-ylthieno[2,3-d]pyrimidin-3-yl)acetamide
CID 4783612
5-[4-(dimethylamino)phenyl]-3-(2-oxo-2-pyrrolidin-1-ylethyl)thieno[2,3-d]pyrimidin-4-one
CID 129219154
3-[2-(8-chloro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-2-oxoethyl]-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-one
CID 55930796
N-methyl-2-(4-oxo-5-thiophen-2-ylthieno[2,3-d]pyrimidin-3-yl)-N-phenylacetamide
CID 17497145
3-(4-oxo-5-thiophen-2-ylthieno[2,3-d]pyrimidin-3-yl)propanamide
CID 39776036
2-(4-oxo-5-thiophen-2-ylthieno[2,3-d]pyrimidin-3-yl)-N-pentan-3-ylacetamide
CID 24680950
(3R)-2-[2-(4-oxo-5-thiophen-2-ylthieno[2,3-d]pyrimidin-3-yl)acetyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide
CID 26009616
N-(3-aminopropyl)-2-(4-oxo-5-thiophen-2-ylthieno[2,3-d]pyrimidin-3-yl)acetamide
CID 119404828
3-[2-oxo-2-(2-propan-2-ylimino-1-pyridinyl)ethyl]-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-one
CID 55504965

Frequently Asked Questions

What is the IUPAC name of 3-[2-(azetidin-1-yl)-2-oxoethyl]-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-one?
The IUPAC name of 3-[2-(azetidin-1-yl)-2-oxoethyl]-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-one (CID 134015611) is 3-[2-(azetidin-1-yl)-2-oxoethyl]-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 3-[2-(azetidin-1-yl)-2-oxoethyl]-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-one?
The canonical SMILES for 3-[2-(azetidin-1-yl)-2-oxoethyl]-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-one is O=C(Cn1cnc2scc(-c3cccs3)c2c1=O)N1CCC1.
What is the InChIKey of 3-[2-(azetidin-1-yl)-2-oxoethyl]-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-one?
The InChIKey is MAMKHPBRNYWQKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O2S2/c19-12(17-4-2-5-17)7-18-9-16-14-13(15(18)20)10(8-22-14)11-3-1-6-21-11/h1,3,6,8-9H,2,4-5,7H2.
What are the key properties of 3-[2-(azetidin-1-yl)-2-oxoethyl]-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-one?
3-[2-(azetidin-1-yl)-2-oxoethyl]-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-one has a molecular weight of 331.42 g/mol, XLogP of 2.42, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(azetidin-1-yl)-2-oxoethyl]-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 134015611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).