2-[[(3S)-3-(1-methylpyrazol-4-yl)thiomorpholin-4-yl]methyl]-3H-thieno[3,2-d]pyrimidin-4-one

C15H17N5OS2 — CID 137060902

IUPAC2-[[(3S)-3-(1-methylpyrazol-4-yl)thiomorpholin-4-yl]methyl]-3H-thieno[3,2-d]pyrimidin-4-one
SMILESCn1cc([C@H]2CSCCN2Cc2nc3ccsc3c(=O)[nH]2)cn1
InChIInChI=1S/C15H17N5OS2/c1-19-7-10(6-16-19)12-9-22-5-3-20(12)8-13-17-11-2-4-23-14(11)15(21)18-13/h2,4,6-7,12H,3,5,8-9H2,1H3,(H,17,18,21)/t12-/m1/s1
InChIKeyFZYUUEBVCYDESB-GFCCVEGCSA-N
MW347.47 g/mol
LogP2.01
Rot. Bonds3

About 2-[[(3S)-3-(1-methylpyrazol-4-yl)thiomorpholin-4-yl]methyl]-3H-thieno[3,2-d]pyrimidin-4-one

2-[[(3S)-3-(1-methylpyrazol-4-yl)thiomorpholin-4-yl]methyl]-3H-thieno[3,2-d]pyrimidin-4-one (PubChem CID 137060902) has the molecular formula C15H17N5OS2 and a molecular weight of 347.47 g/mol. Its IUPAC name is 2-[[(3S)-3-(1-methylpyrazol-4-yl)thiomorpholin-4-yl]methyl]-3H-thieno[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-[[(3S)-3-(1-methylpyrazol-4-yl)thiomorpholin-4-yl]methyl]-3H-thieno[3,2-d]pyrimidin-4-one
PubChem CID137060902
Molecular FormulaC15H17N5OS2
Molecular Weight347.47 g/mol
Exact Mass347.09
IUPAC Name2-[[(3S)-3-(1-methylpyrazol-4-yl)thiomorpholin-4-yl]methyl]-3H-thieno[3,2-d]pyrimidin-4-one
SMILESCn1cc([C@H]2CSCCN2Cc2nc3ccsc3c(=O)[nH]2)cn1
InChIInChI=1S/C15H17N5OS2/c1-19-7-10(6-16-19)12-9-22-5-3-20(12)8-13-17-11-2-4-23-14(11)15(21)18-13/h2,4,6-7,12H,3,5,8-9H2,1H3,(H,17,18,21)/t12-/m1/s1
InChIKeyFZYUUEBVCYDESB-GFCCVEGCSA-N
XLogP2.01
TPSA66.81 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.47
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[[(3S)-3-(1-methylpyrazol-4-yl)thiomorpholin-4-yl]methyl]-3H-thieno[3,2-d]pyrimidin-4-one?
The IUPAC name of 2-[[(3S)-3-(1-methylpyrazol-4-yl)thiomorpholin-4-yl]methyl]-3H-thieno[3,2-d]pyrimidin-4-one (CID 137060902) is 2-[[(3S)-3-(1-methylpyrazol-4-yl)thiomorpholin-4-yl]methyl]-3H-thieno[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 2-[[(3S)-3-(1-methylpyrazol-4-yl)thiomorpholin-4-yl]methyl]-3H-thieno[3,2-d]pyrimidin-4-one?
The canonical SMILES for 2-[[(3S)-3-(1-methylpyrazol-4-yl)thiomorpholin-4-yl]methyl]-3H-thieno[3,2-d]pyrimidin-4-one is Cn1cc([C@H]2CSCCN2Cc2nc3ccsc3c(=O)[nH]2)cn1.
What is the InChIKey of 2-[[(3S)-3-(1-methylpyrazol-4-yl)thiomorpholin-4-yl]methyl]-3H-thieno[3,2-d]pyrimidin-4-one?
The InChIKey is FZYUUEBVCYDESB-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H17N5OS2/c1-19-7-10(6-16-19)12-9-22-5-3-20(12)8-13-17-11-2-4-23-14(11)15(21)18-13/h2,4,6-7,12H,3,5,8-9H2,1H3,(H,17,18,21)/t12-/m1/s1.
What are the key properties of 2-[[(3S)-3-(1-methylpyrazol-4-yl)thiomorpholin-4-yl]methyl]-3H-thieno[3,2-d]pyrimidin-4-one?
2-[[(3S)-3-(1-methylpyrazol-4-yl)thiomorpholin-4-yl]methyl]-3H-thieno[3,2-d]pyrimidin-4-one has a molecular weight of 347.47 g/mol, XLogP of 2.01, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(3S)-3-(1-methylpyrazol-4-yl)thiomorpholin-4-yl]methyl]-3H-thieno[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 137060902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).