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

C11H10N2O3S2 — CID 43525768

IUPAC2-(3-cyclopropyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanylacetic acid
SMILESO=C(O)CSc1nc2sccc2c(=O)n1C1CC1
InChIInChI=1S/C11H10N2O3S2/c14-8(15)5-18-11-12-9-7(3-4-17-9)10(16)13(11)6-1-2-6/h3-4,6H,1-2,5H2,(H,14,15)
InChIKeyFQPJMVCBONLAJW-UHFFFAOYSA-N
MW282.35 g/mol
LogP1.97
Rot. Bonds4

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

2-(3-cyclopropyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanylacetic acid (PubChem CID 43525768) has the molecular formula C11H10N2O3S2 and a molecular weight of 282.35 g/mol. Its IUPAC name is 2-(3-cyclopropyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanylacetic acid.

Molecular Properties

Compound Name2-(3-cyclopropyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanylacetic acid
PubChem CID43525768
Molecular FormulaC11H10N2O3S2
Molecular Weight282.35 g/mol
Exact Mass282.01
IUPAC Name2-(3-cyclopropyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanylacetic acid
SMILESO=C(O)CSc1nc2sccc2c(=O)n1C1CC1
InChIInChI=1S/C11H10N2O3S2/c14-8(15)5-18-11-12-9-7(3-4-17-9)10(16)13(11)6-1-2-6/h3-4,6H,1-2,5H2,(H,14,15)
InChIKeyFQPJMVCBONLAJW-UHFFFAOYSA-N
XLogP1.97
TPSA72.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.35
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[3-(cyclopropylmethyl)-4-oxothieno[2,3-d]pyrimidin-2-yl]sulfanylacetic acid
CID 43525520
2-(3-cyclopentyl-4-oxothieno[3,2-d]pyrimidin-2-yl)sulfanylacetic acid
CID 43525776
2-[4-oxo-3-(oxolan-3-ylmethyl)thieno[2,3-d]pyrimidin-2-yl]sulfanylacetic acid
CID 62823115
2-[3-(2-methoxyethyl)-4-oxothieno[2,3-d]pyrimidin-2-yl]sulfanylacetic acid
CID 43525841
2-(3-methyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanylacetamide
CID 35772690
3-cyclohexyl-2-(2-oxo-2-piperidin-1-ylethyl)sulfanylquinazolin-4-one
CID 1213864
3-cyclopropyl-2-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]sulfanylquinazolin-4-one
CID 8981120
N-cyclohexyl-2-(3-cyclopropyl-4-oxoquinazolin-2-yl)sulfanylacetamide
CID 8979979
3-cyclopropyl-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylquinazolin-4-one
CID 8979691
3-cyclohexyl-2-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]sulfanylquinazolin-4-one
CID 24605212
2-[[2-(3-cyclopropyl-4-oxoquinazolin-2-yl)sulfanylacetyl]amino]-N-methylacetamide
CID 8982041
3-cyclopropyl-2-[2-(3,4-dichlorophenyl)-2-oxoethyl]sulfanylquinazolin-4-one
CID 9381565

Frequently Asked Questions

What is the IUPAC name of 2-(3-cyclopropyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanylacetic acid?
The IUPAC name of 2-(3-cyclopropyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanylacetic acid (CID 43525768) is 2-(3-cyclopropyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanylacetic acid.
What is the SMILES notation for 2-(3-cyclopropyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanylacetic acid?
The canonical SMILES for 2-(3-cyclopropyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanylacetic acid is O=C(O)CSc1nc2sccc2c(=O)n1C1CC1.
What is the InChIKey of 2-(3-cyclopropyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanylacetic acid?
The InChIKey is FQPJMVCBONLAJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O3S2/c14-8(15)5-18-11-12-9-7(3-4-17-9)10(16)13(11)6-1-2-6/h3-4,6H,1-2,5H2,(H,14,15).
What are the key properties of 2-(3-cyclopropyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanylacetic acid?
2-(3-cyclopropyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanylacetic acid has a molecular weight of 282.35 g/mol, XLogP of 1.97, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-cyclopropyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanylacetic acid is sourced from PubChem (CID 43525768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).