2-pyrimidin-2-ylsulfanyl-N-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]acetamide

C14H12N4O2S2 — CID 45497806

IUPAC2-pyrimidin-2-ylsulfanyl-N-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]acetamide
SMILESO=C(CSc1ncccn1)NCc1cc(-c2cccs2)on1
InChIInChI=1S/C14H12N4O2S2/c19-13(9-22-14-15-4-2-5-16-14)17-8-10-7-11(20-18-10)12-3-1-6-21-12/h1-7H,8-9H2,(H,17,19)
InChIKeyGNDQQHKDPQOUML-UHFFFAOYSA-N
MW332.41 g/mol
LogP2.60
Rot. Bonds6

About 2-pyrimidin-2-ylsulfanyl-N-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]acetamide

2-pyrimidin-2-ylsulfanyl-N-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]acetamide (PubChem CID 45497806) has the molecular formula C14H12N4O2S2 and a molecular weight of 332.41 g/mol. Its IUPAC name is 2-pyrimidin-2-ylsulfanyl-N-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]acetamide.

Molecular Properties

Compound Name2-pyrimidin-2-ylsulfanyl-N-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]acetamide
PubChem CID45497806
Molecular FormulaC14H12N4O2S2
Molecular Weight332.41 g/mol
Exact Mass332.04
IUPAC Name2-pyrimidin-2-ylsulfanyl-N-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]acetamide
SMILESO=C(CSc1ncccn1)NCc1cc(-c2cccs2)on1
InChIInChI=1S/C14H12N4O2S2/c19-13(9-22-14-15-4-2-5-16-14)17-8-10-7-11(20-18-10)12-3-1-6-21-12/h1-7H,8-9H2,(H,17,19)
InChIKeyGNDQQHKDPQOUML-UHFFFAOYSA-N
XLogP2.60
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.41
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-pyrimidin-2-ylsulfanyl-N-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]acetamide?
The IUPAC name of 2-pyrimidin-2-ylsulfanyl-N-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]acetamide (CID 45497806) is 2-pyrimidin-2-ylsulfanyl-N-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]acetamide.
What is the SMILES notation for 2-pyrimidin-2-ylsulfanyl-N-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]acetamide?
The canonical SMILES for 2-pyrimidin-2-ylsulfanyl-N-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]acetamide is O=C(CSc1ncccn1)NCc1cc(-c2cccs2)on1.
What is the InChIKey of 2-pyrimidin-2-ylsulfanyl-N-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]acetamide?
The InChIKey is GNDQQHKDPQOUML-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4O2S2/c19-13(9-22-14-15-4-2-5-16-14)17-8-10-7-11(20-18-10)12-3-1-6-21-12/h1-7H,8-9H2,(H,17,19).
What are the key properties of 2-pyrimidin-2-ylsulfanyl-N-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]acetamide?
2-pyrimidin-2-ylsulfanyl-N-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]acetamide has a molecular weight of 332.41 g/mol, XLogP of 2.60, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyrimidin-2-ylsulfanyl-N-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]acetamide is sourced from PubChem (CID 45497806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).