2-[[(2S)-oxan-2-yl]methylsulfanyl]-3H-thieno[2,3-d]pyrimidin-4-one

C12H14N2O2S2 — CID 30764923

IUPAC2-[[(2S)-oxan-2-yl]methylsulfanyl]-3H-thieno[2,3-d]pyrimidin-4-one
SMILESO=c1[nH]c(SC[C@@H]2CCCCO2)nc2sccc12
InChIInChI=1S/C12H14N2O2S2/c15-10-9-4-6-17-11(9)14-12(13-10)18-7-8-3-1-2-5-16-8/h4,6,8H,1-3,5,7H2,(H,13,14,15)/t8-/m0/s1
InChIKeyMCZPJCIRBDUYOD-QMMMGPOBSA-N
MW282.39 g/mol
LogP2.65
Rot. Bonds3

About 2-[[(2S)-oxan-2-yl]methylsulfanyl]-3H-thieno[2,3-d]pyrimidin-4-one

2-[[(2S)-oxan-2-yl]methylsulfanyl]-3H-thieno[2,3-d]pyrimidin-4-one (PubChem CID 30764923) has the molecular formula C12H14N2O2S2 and a molecular weight of 282.39 g/mol. Its IUPAC name is 2-[[(2S)-oxan-2-yl]methylsulfanyl]-3H-thieno[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-[[(2S)-oxan-2-yl]methylsulfanyl]-3H-thieno[2,3-d]pyrimidin-4-one
PubChem CID30764923
Molecular FormulaC12H14N2O2S2
Molecular Weight282.39 g/mol
Exact Mass282.05
IUPAC Name2-[[(2S)-oxan-2-yl]methylsulfanyl]-3H-thieno[2,3-d]pyrimidin-4-one
SMILESO=c1[nH]c(SC[C@@H]2CCCCO2)nc2sccc12
InChIInChI=1S/C12H14N2O2S2/c15-10-9-4-6-17-11(9)14-12(13-10)18-7-8-3-1-2-5-16-8/h4,6,8H,1-3,5,7H2,(H,13,14,15)/t8-/m0/s1
InChIKeyMCZPJCIRBDUYOD-QMMMGPOBSA-N
XLogP2.65
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[[(2S)-oxan-2-yl]methylsulfanyl]-3H-thieno[2,3-d]pyrimidin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]-3H-thieno[2,3-d]pyrimidin-4-one
CID 43051047
2-(2-amino-2-ethylbutyl)sulfanyl-3H-thieno[2,3-d]pyrimidin-4-one
CID 82147787
4-(oxolan-2-ylmethylsulfanyl)-N-propylthieno[2,3-d]pyrimidin-2-amine
CID 106497930
2-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]-3H-thieno[2,3-d]pyrimidin-4-one
CID 33350660
2-[(4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)sulfanylmethyl]benzoic acid
CID 94750696
2-[(2-phenyl-1,3-thiazol-4-yl)methylsulfanyl]-3H-thieno[2,3-d]pyrimidin-4-one
CID 16612127
4-benzyl-5-methyl-2-[[(2R)-oxan-2-yl]methylsulfanyl]-1H-imidazole
CID 29435354
2-(oxolan-2-ylmethylsulfanyl)-4-propyl-1H-pyrimidin-6-one
CID 135537400
2-chloro-4-(oxan-2-ylmethoxy)thieno[2,3-d]pyrimidine
CID 103319749
N-(2-methylphenyl)-2-[(4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetamide
CID 17449873
2-[(4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)sulfanyl]-N-(3-propan-2-yl-1,2-oxazol-5-yl)acetamide
CID 39004073
2-(oxolan-2-ylmethylsulfanylmethyl)-N-propylthieno[2,3-d]pyrimidin-4-amine
CID 106495744

Frequently Asked Questions

What is the IUPAC name of 2-[[(2S)-oxan-2-yl]methylsulfanyl]-3H-thieno[2,3-d]pyrimidin-4-one?
The IUPAC name of 2-[[(2S)-oxan-2-yl]methylsulfanyl]-3H-thieno[2,3-d]pyrimidin-4-one (CID 30764923) is 2-[[(2S)-oxan-2-yl]methylsulfanyl]-3H-thieno[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 2-[[(2S)-oxan-2-yl]methylsulfanyl]-3H-thieno[2,3-d]pyrimidin-4-one?
The canonical SMILES for 2-[[(2S)-oxan-2-yl]methylsulfanyl]-3H-thieno[2,3-d]pyrimidin-4-one is O=c1[nH]c(SC[C@@H]2CCCCO2)nc2sccc12.
What is the InChIKey of 2-[[(2S)-oxan-2-yl]methylsulfanyl]-3H-thieno[2,3-d]pyrimidin-4-one?
The InChIKey is MCZPJCIRBDUYOD-QMMMGPOBSA-N. The full InChI is InChI=1S/C12H14N2O2S2/c15-10-9-4-6-17-11(9)14-12(13-10)18-7-8-3-1-2-5-16-8/h4,6,8H,1-3,5,7H2,(H,13,14,15)/t8-/m0/s1.
What are the key properties of 2-[[(2S)-oxan-2-yl]methylsulfanyl]-3H-thieno[2,3-d]pyrimidin-4-one?
2-[[(2S)-oxan-2-yl]methylsulfanyl]-3H-thieno[2,3-d]pyrimidin-4-one has a molecular weight of 282.39 g/mol, XLogP of 2.65, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2S)-oxan-2-yl]methylsulfanyl]-3H-thieno[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 30764923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).