4-amino-5-phenyl-2-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1H-pyrimidin-6-one

C17H13N5O2S2 — CID 135563485

IUPAC4-amino-5-phenyl-2-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1H-pyrimidin-6-one
SMILESNc1nc(SCc2nc(-c3cccs3)no2)[nH]c(=O)c1-c1ccccc1
InChIInChI=1S/C17H13N5O2S2/c18-14-13(10-5-2-1-3-6-10)16(23)21-17(20-14)26-9-12-19-15(22-24-12)11-7-4-8-25-11/h1-8H,9H2,(H3,18,20,21,23)
InChIKeyRPVSTTGDPCMHTP-UHFFFAOYSA-N
MW383.46 g/mol
LogP3.42
Rot. Bonds5

About 4-amino-5-phenyl-2-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1H-pyrimidin-6-one

4-amino-5-phenyl-2-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1H-pyrimidin-6-one (PubChem CID 135563485) has the molecular formula C17H13N5O2S2 and a molecular weight of 383.46 g/mol. Its IUPAC name is 4-amino-5-phenyl-2-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-amino-5-phenyl-2-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1H-pyrimidin-6-one
PubChem CID135563485
Molecular FormulaC17H13N5O2S2
Molecular Weight383.46 g/mol
Exact Mass383.05
IUPAC Name4-amino-5-phenyl-2-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1H-pyrimidin-6-one
SMILESNc1nc(SCc2nc(-c3cccs3)no2)[nH]c(=O)c1-c1ccccc1
InChIInChI=1S/C17H13N5O2S2/c18-14-13(10-5-2-1-3-6-10)16(23)21-17(20-14)26-9-12-19-15(22-24-12)11-7-4-8-25-11/h1-8H,9H2,(H3,18,20,21,23)
InChIKeyRPVSTTGDPCMHTP-UHFFFAOYSA-N
XLogP3.42
TPSA110.69 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.46
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

5-[(6-phenylpyridazin-3-yl)sulfanylmethyl]-3-thiophen-2-yl-1,2,4-oxadiazole
CID 46329488
4-amino-2-[(2,4-dichlorophenyl)methylsulfanyl]-5-phenyl-1H-pyrimidin-6-one
CID 135481509
4-methyl-3-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methylsulfanyl]aniline
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CID 43302960
4-propan-2-yl-5-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1,2,4-triazol-3-amine
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CID 18171412
5-[(1-methylimidazol-2-yl)sulfanylmethyl]-3-thiophen-2-yl-1,2,4-oxadiazole
CID 18171310
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CID 136741692
2-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methylsulfanyl]propanoic acid
CID 43238093
N-[(1S)-1-phenylethyl]-2-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methylsulfanyl]acetamide
CID 51724996
3-methoxy-4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methylsulfanyl]aniline
CID 79827133
1-phenyl-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propan-1-amine
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Frequently Asked Questions

What is the IUPAC name of 4-amino-5-phenyl-2-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1H-pyrimidin-6-one?
The IUPAC name of 4-amino-5-phenyl-2-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1H-pyrimidin-6-one (CID 135563485) is 4-amino-5-phenyl-2-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1H-pyrimidin-6-one.
What is the SMILES notation for 4-amino-5-phenyl-2-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1H-pyrimidin-6-one?
The canonical SMILES for 4-amino-5-phenyl-2-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1H-pyrimidin-6-one is Nc1nc(SCc2nc(-c3cccs3)no2)[nH]c(=O)c1-c1ccccc1.
What is the InChIKey of 4-amino-5-phenyl-2-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1H-pyrimidin-6-one?
The InChIKey is RPVSTTGDPCMHTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N5O2S2/c18-14-13(10-5-2-1-3-6-10)16(23)21-17(20-14)26-9-12-19-15(22-24-12)11-7-4-8-25-11/h1-8H,9H2,(H3,18,20,21,23).
What are the key properties of 4-amino-5-phenyl-2-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1H-pyrimidin-6-one?
4-amino-5-phenyl-2-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1H-pyrimidin-6-one has a molecular weight of 383.46 g/mol, XLogP of 3.42, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-phenyl-2-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1H-pyrimidin-6-one is sourced from PubChem (CID 135563485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).