2-phenyl-2-pyrimidin-2-ylsulfanylacetamide

C12H11N3OS — CID 18136130

IUPAC2-phenyl-2-pyrimidin-2-ylsulfanylacetamide
SMILESNC(=O)C(Sc1ncccn1)c1ccccc1
InChIInChI=1S/C12H11N3OS/c13-11(16)10(9-5-2-1-3-6-9)17-12-14-7-4-8-15-12/h1-8,10H,(H2,13,16)
InChIKeyBWRWXZUBWOXXKM-UHFFFAOYSA-N
MW245.31 g/mol
LogP1.80
Rot. Bonds4

About 2-phenyl-2-pyrimidin-2-ylsulfanylacetamide

2-phenyl-2-pyrimidin-2-ylsulfanylacetamide (PubChem CID 18136130) has the molecular formula C12H11N3OS and a molecular weight of 245.31 g/mol. Its IUPAC name is 2-phenyl-2-pyrimidin-2-ylsulfanylacetamide.

Molecular Properties

Compound Name2-phenyl-2-pyrimidin-2-ylsulfanylacetamide
PubChem CID18136130
Molecular FormulaC12H11N3OS
Molecular Weight245.31 g/mol
Exact Mass245.06
IUPAC Name2-phenyl-2-pyrimidin-2-ylsulfanylacetamide
SMILESNC(=O)C(Sc1ncccn1)c1ccccc1
InChIInChI=1S/C12H11N3OS/c13-11(16)10(9-5-2-1-3-6-9)17-12-14-7-4-8-15-12/h1-8,10H,(H2,13,16)
InChIKeyBWRWXZUBWOXXKM-UHFFFAOYSA-N
XLogP1.80
TPSA68.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.31
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-N-carbamoyl-2-phenyl-2-pyrimidin-2-ylsulfanylacetamide
CID 9108985
(2R)-2-phenyl-2-[(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 95629343
(2R)-2-(1-methylimidazol-2-yl)sulfanyl-2-phenylacetamide
CID 94017809
(2R)-2-methylsulfanyl-2-phenylacetamide
CID 101026307
2-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]-2-phenylacetamide
CID 86790555
(2R)-2-(1-benzylimidazol-2-yl)sulfanyl-2-phenylacetamide
CID 41434046
(2S)-2-[(5-tert-butyl-1,3-oxazol-2-yl)sulfanyl]-2-phenylacetamide
CID 97227152
2-phenyl-2-pyridin-2-ylsulfanylacetic acid
CID 18073234
2-phenyl-2-(6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide
CID 18137836
2-(2,5-dimethylphenyl)sulfanyl-2-phenylacetamide
CID 18138315
(2R)-2-phenyl-2-[1-(2-propan-2-ylphenyl)imidazol-2-yl]sulfanylacetamide
CID 41434250
2-(1-amino-4-phenylimidazol-2-yl)sulfanyl-2-phenylacetamide
CID 16592251

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-2-pyrimidin-2-ylsulfanylacetamide?
The IUPAC name of 2-phenyl-2-pyrimidin-2-ylsulfanylacetamide (CID 18136130) is 2-phenyl-2-pyrimidin-2-ylsulfanylacetamide.
What is the SMILES notation for 2-phenyl-2-pyrimidin-2-ylsulfanylacetamide?
The canonical SMILES for 2-phenyl-2-pyrimidin-2-ylsulfanylacetamide is NC(=O)C(Sc1ncccn1)c1ccccc1.
What is the InChIKey of 2-phenyl-2-pyrimidin-2-ylsulfanylacetamide?
The InChIKey is BWRWXZUBWOXXKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3OS/c13-11(16)10(9-5-2-1-3-6-9)17-12-14-7-4-8-15-12/h1-8,10H,(H2,13,16).
What are the key properties of 2-phenyl-2-pyrimidin-2-ylsulfanylacetamide?
2-phenyl-2-pyrimidin-2-ylsulfanylacetamide has a molecular weight of 245.31 g/mol, XLogP of 1.80, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-2-pyrimidin-2-ylsulfanylacetamide is sourced from PubChem (CID 18136130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).