2-(4-oxo-3-piperidin-1-ylthieno[3,2-d]pyrimidin-2-yl)sulfanylacetic acid

C13H15N3O3S2 — CID 83018609

IUPAC2-(4-oxo-3-piperidin-1-ylthieno[3,2-d]pyrimidin-2-yl)sulfanylacetic acid
SMILESO=C(O)CSc1nc2ccsc2c(=O)n1N1CCCCC1
InChIInChI=1S/C13H15N3O3S2/c17-10(18)8-21-13-14-9-4-7-20-11(9)12(19)16(13)15-5-2-1-3-6-15/h4,7H,1-3,5-6,8H2,(H,17,18)
InChIKeyZXUVONFSABRBAW-UHFFFAOYSA-N
MW325.42 g/mol
LogP1.76
Rot. Bonds4

About 2-(4-oxo-3-piperidin-1-ylthieno[3,2-d]pyrimidin-2-yl)sulfanylacetic acid

2-(4-oxo-3-piperidin-1-ylthieno[3,2-d]pyrimidin-2-yl)sulfanylacetic acid (PubChem CID 83018609) has the molecular formula C13H15N3O3S2 and a molecular weight of 325.42 g/mol. Its IUPAC name is 2-(4-oxo-3-piperidin-1-ylthieno[3,2-d]pyrimidin-2-yl)sulfanylacetic acid.

Molecular Properties

Compound Name2-(4-oxo-3-piperidin-1-ylthieno[3,2-d]pyrimidin-2-yl)sulfanylacetic acid
PubChem CID83018609
Molecular FormulaC13H15N3O3S2
Molecular Weight325.42 g/mol
Exact Mass325.06
IUPAC Name2-(4-oxo-3-piperidin-1-ylthieno[3,2-d]pyrimidin-2-yl)sulfanylacetic acid
SMILESO=C(O)CSc1nc2ccsc2c(=O)n1N1CCCCC1
InChIInChI=1S/C13H15N3O3S2/c17-10(18)8-21-13-14-9-4-7-20-11(9)12(19)16(13)15-5-2-1-3-6-15/h4,7H,1-3,5-6,8H2,(H,17,18)
InChIKeyZXUVONFSABRBAW-UHFFFAOYSA-N
XLogP1.76
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.42
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-(3-cyclopentyl-4-oxothieno[3,2-d]pyrimidin-2-yl)sulfanylacetic acid
CID 43525776
2-(3-tert-butyl-4-oxothieno[3,2-d]pyrimidin-2-yl)sulfanylacetic acid
CID 43525522
2-[3-(3-amino-3-oxopropyl)-4-oxothieno[3,2-d]pyrimidin-2-yl]sulfanylacetic acid
CID 43553845
2-[4-oxo-3-(thiolan-2-ylmethyl)thieno[3,2-d]pyrimidin-2-yl]sulfanylacetic acid
CID 80584001
2-(6-chloro-1-piperidin-1-ylbenzimidazol-2-yl)sulfanylacetic acid
CID 83017273
2-[2-[(2R)-2-ethylpiperidin-1-yl]-2-oxoethyl]sulfanyl-3-methylthieno[3,2-d]pyrimidin-4-one
CID 33335707
3-[(4-fluorophenyl)methyl]-2-(2-oxo-2-piperidin-1-ylethyl)sulfanylthieno[3,2-d]pyrimidin-4-one
CID 46921442
3-ethyl-2-[2-[(2R)-2-ethylpiperidin-1-yl]-2-oxoethyl]sulfanylthieno[3,2-d]pyrimidin-4-one
CID 35197962
3-(4-methoxyphenyl)-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylthieno[3,2-d]pyrimidin-4-one
CID 4986596
3-methyl-2-(2-oxo-1-phenyl-2-piperidin-1-ylethyl)sulfanylthieno[3,2-d]pyrimidin-4-one
CID 46661639
6-[4-oxo-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylthieno[3,2-d]pyrimidin-3-yl]hexanoate
CID 4230103
2-[2-[2-(4-fluorophenyl)-2-oxoethyl]sulfanyl-4-oxothieno[3,2-d]pyrimidin-3-yl]acetic acid
CID 3566812

Frequently Asked Questions

What is the IUPAC name of 2-(4-oxo-3-piperidin-1-ylthieno[3,2-d]pyrimidin-2-yl)sulfanylacetic acid?
The IUPAC name of 2-(4-oxo-3-piperidin-1-ylthieno[3,2-d]pyrimidin-2-yl)sulfanylacetic acid (CID 83018609) is 2-(4-oxo-3-piperidin-1-ylthieno[3,2-d]pyrimidin-2-yl)sulfanylacetic acid.
What is the SMILES notation for 2-(4-oxo-3-piperidin-1-ylthieno[3,2-d]pyrimidin-2-yl)sulfanylacetic acid?
The canonical SMILES for 2-(4-oxo-3-piperidin-1-ylthieno[3,2-d]pyrimidin-2-yl)sulfanylacetic acid is O=C(O)CSc1nc2ccsc2c(=O)n1N1CCCCC1.
What is the InChIKey of 2-(4-oxo-3-piperidin-1-ylthieno[3,2-d]pyrimidin-2-yl)sulfanylacetic acid?
The InChIKey is ZXUVONFSABRBAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O3S2/c17-10(18)8-21-13-14-9-4-7-20-11(9)12(19)16(13)15-5-2-1-3-6-15/h4,7H,1-3,5-6,8H2,(H,17,18).
What are the key properties of 2-(4-oxo-3-piperidin-1-ylthieno[3,2-d]pyrimidin-2-yl)sulfanylacetic acid?
2-(4-oxo-3-piperidin-1-ylthieno[3,2-d]pyrimidin-2-yl)sulfanylacetic acid has a molecular weight of 325.42 g/mol, XLogP of 1.76, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-oxo-3-piperidin-1-ylthieno[3,2-d]pyrimidin-2-yl)sulfanylacetic acid is sourced from PubChem (CID 83018609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).