2-(3-cyclopentyl-4-oxothieno[3,2-d]pyrimidin-2-yl)sulfanylacetic acid

C13H14N2O3S2 — CID 43525776

IUPAC2-(3-cyclopentyl-4-oxothieno[3,2-d]pyrimidin-2-yl)sulfanylacetic acid
SMILESO=C(O)CSc1nc2ccsc2c(=O)n1C1CCCC1
InChIInChI=1S/C13H14N2O3S2/c16-10(17)7-20-13-14-9-5-6-19-11(9)12(18)15(13)8-3-1-2-4-8/h5-6,8H,1-4,7H2,(H,16,17)
InChIKeyZVMDWQGLIPYOQS-UHFFFAOYSA-N
MW310.40 g/mol
LogP2.75
Rot. Bonds4

About 2-(3-cyclopentyl-4-oxothieno[3,2-d]pyrimidin-2-yl)sulfanylacetic acid

2-(3-cyclopentyl-4-oxothieno[3,2-d]pyrimidin-2-yl)sulfanylacetic acid (PubChem CID 43525776) has the molecular formula C13H14N2O3S2 and a molecular weight of 310.40 g/mol. Its IUPAC name is 2-(3-cyclopentyl-4-oxothieno[3,2-d]pyrimidin-2-yl)sulfanylacetic acid.

Molecular Properties

Compound Name2-(3-cyclopentyl-4-oxothieno[3,2-d]pyrimidin-2-yl)sulfanylacetic acid
PubChem CID43525776
Molecular FormulaC13H14N2O3S2
Molecular Weight310.40 g/mol
Exact Mass310.04
IUPAC Name2-(3-cyclopentyl-4-oxothieno[3,2-d]pyrimidin-2-yl)sulfanylacetic acid
SMILESO=C(O)CSc1nc2ccsc2c(=O)n1C1CCCC1
InChIInChI=1S/C13H14N2O3S2/c16-10(17)7-20-13-14-9-5-6-19-11(9)12(18)15(13)8-3-1-2-4-8/h5-6,8H,1-4,7H2,(H,16,17)
InChIKeyZVMDWQGLIPYOQS-UHFFFAOYSA-N
XLogP2.75
TPSA72.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(3-cyclopentyl-4-oxothieno[3,2-d]pyrimidin-2-yl)sulfanyl-N-(4-methoxyphenyl)acetamide
CID 45492469
2-[4-oxo-3-(thiolan-2-ylmethyl)thieno[3,2-d]pyrimidin-2-yl]sulfanylacetic acid
CID 80584001
3-cyclopropyl-2-[2-(4-methylthiophen-2-yl)-2-oxoethyl]sulfanylthieno[3,2-d]pyrimidin-4-one
CID 130198244
2-(4-oxo-3-piperidin-1-ylthieno[3,2-d]pyrimidin-2-yl)sulfanylacetic acid
CID 83018609
2-(3-cyclopropyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanylacetic acid
CID 43525768
2-(3-tert-butyl-4-oxothieno[3,2-d]pyrimidin-2-yl)sulfanylacetic acid
CID 43525522
2-(1-cyclopentylbenzimidazol-2-yl)sulfanylacetic acid
CID 29066136
2-[3-(3-amino-3-oxopropyl)-4-oxothieno[3,2-d]pyrimidin-2-yl]sulfanylacetic acid
CID 43553845
2-(1-cyclobutylbenzimidazol-2-yl)sulfanylacetic acid
CID 62415191
2-(6-chloro-1-cyclopentylbenzimidazol-2-yl)sulfanylacetic acid
CID 115470231
2-(1-cyclobutyl-6,7-difluorobenzimidazol-2-yl)sulfanylacetic acid
CID 62532208
2-(1-cyclohexyl-5-iodobenzimidazol-2-yl)sulfanylacetic acid
CID 66080161

Frequently Asked Questions

What is the IUPAC name of 2-(3-cyclopentyl-4-oxothieno[3,2-d]pyrimidin-2-yl)sulfanylacetic acid?
The IUPAC name of 2-(3-cyclopentyl-4-oxothieno[3,2-d]pyrimidin-2-yl)sulfanylacetic acid (CID 43525776) is 2-(3-cyclopentyl-4-oxothieno[3,2-d]pyrimidin-2-yl)sulfanylacetic acid.
What is the SMILES notation for 2-(3-cyclopentyl-4-oxothieno[3,2-d]pyrimidin-2-yl)sulfanylacetic acid?
The canonical SMILES for 2-(3-cyclopentyl-4-oxothieno[3,2-d]pyrimidin-2-yl)sulfanylacetic acid is O=C(O)CSc1nc2ccsc2c(=O)n1C1CCCC1.
What is the InChIKey of 2-(3-cyclopentyl-4-oxothieno[3,2-d]pyrimidin-2-yl)sulfanylacetic acid?
The InChIKey is ZVMDWQGLIPYOQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O3S2/c16-10(17)7-20-13-14-9-5-6-19-11(9)12(18)15(13)8-3-1-2-4-8/h5-6,8H,1-4,7H2,(H,16,17).
What are the key properties of 2-(3-cyclopentyl-4-oxothieno[3,2-d]pyrimidin-2-yl)sulfanylacetic acid?
2-(3-cyclopentyl-4-oxothieno[3,2-d]pyrimidin-2-yl)sulfanylacetic acid has a molecular weight of 310.40 g/mol, XLogP of 2.75, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-cyclopentyl-4-oxothieno[3,2-d]pyrimidin-2-yl)sulfanylacetic acid is sourced from PubChem (CID 43525776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).