2-(1-methylimidazol-2-yl)sulfanyl-N-pyrimidin-2-ylacetamide

C10H11N5OS — CID 1240893

IUPAC2-(1-methylimidazol-2-yl)sulfanyl-N-pyrimidin-2-ylacetamide
SMILESCn1ccnc1SCC(=O)Nc1ncccn1
InChIInChI=1S/C10H11N5OS/c1-15-6-5-13-10(15)17-7-8(16)14-9-11-3-2-4-12-9/h2-6H,7H2,1H3,(H,11,12,14,16)
InChIKeyXSDGTNNOVXGQLV-UHFFFAOYSA-N
MW249.30 g/mol
LogP0.94
Rot. Bonds4

About 2-(1-methylimidazol-2-yl)sulfanyl-N-pyrimidin-2-ylacetamide

2-(1-methylimidazol-2-yl)sulfanyl-N-pyrimidin-2-ylacetamide (PubChem CID 1240893) has the molecular formula C10H11N5OS and a molecular weight of 249.30 g/mol. Its IUPAC name is 2-(1-methylimidazol-2-yl)sulfanyl-N-pyrimidin-2-ylacetamide.

Molecular Properties

Compound Name2-(1-methylimidazol-2-yl)sulfanyl-N-pyrimidin-2-ylacetamide
PubChem CID1240893
Molecular FormulaC10H11N5OS
Molecular Weight249.30 g/mol
Exact Mass249.07
IUPAC Name2-(1-methylimidazol-2-yl)sulfanyl-N-pyrimidin-2-ylacetamide
SMILESCn1ccnc1SCC(=O)Nc1ncccn1
InChIInChI=1S/C10H11N5OS/c1-15-6-5-13-10(15)17-7-8(16)14-9-11-3-2-4-12-9/h2-6H,7H2,1H3,(H,11,12,14,16)
InChIKeyXSDGTNNOVXGQLV-UHFFFAOYSA-N
XLogP0.94
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.30
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(tert-butylcarbamoyl)-2-pyrimidin-2-ylsulfanylacetamide
CID 2403031
N-(propan-2-ylcarbamoyl)-2-pyrimidin-2-ylsulfanylacetamide
CID 3691663
N-(5-(ethylthio)-1,3,4-thiadiazol-2-yl)-2-(pyrimidin-2-ylthio)acetamide
CID 2928978
N-pyrimidin-2-yl-2-(2H-triazol-4-ylsulfanyl)acetamide
CID 6459582
1-(3-((4-methyl-4H-1,2,4-triazol-3-yl)thio)propyl)-3-(pyrimidin-2-yl)urea
CID 6852101
N~4~-methyl-N~2~-{2-[(1-methyl-1H-imidazol-2-yl)thio]ethyl}pyrimidine-2,4-diamine
CID 50950039
3-{2-[2-(propylthio)pyrimidin-5-yl]-1H-imidazol-1-yl}propanamide
CID 56861221
N-(2-(1H-imidazol-1-yl)pyrimidin-5-yl)acetamide
CID 71789852
N-{2-[(1-methyl-1H-imidazol-2-yl)thio]ethyl}-2-(trifluoromethyl)pyrimidin-4-amine
CID 72887542
N-{2-[(1-methyl-1H-imidazol-2-yl)thio]ethyl}-1-pyrimidin-2-ylpiperidin-4-amine
CID 72922955
N-(4-methyl-1,2,5-oxadiazol-3-yl)-2-pyrimidin-2-ylsulfanylacetamide
CID 145976076
2-((Imidazo[1,2-a]pyrimidin-2-ylmethyl)thio)-6-methylpyrimidin-4-ol
CID 135407992

Frequently Asked Questions

What is the IUPAC name of 2-(1-methylimidazol-2-yl)sulfanyl-N-pyrimidin-2-ylacetamide?
The IUPAC name of 2-(1-methylimidazol-2-yl)sulfanyl-N-pyrimidin-2-ylacetamide (CID 1240893) is 2-(1-methylimidazol-2-yl)sulfanyl-N-pyrimidin-2-ylacetamide.
What is the SMILES notation for 2-(1-methylimidazol-2-yl)sulfanyl-N-pyrimidin-2-ylacetamide?
The canonical SMILES for 2-(1-methylimidazol-2-yl)sulfanyl-N-pyrimidin-2-ylacetamide is Cn1ccnc1SCC(=O)Nc1ncccn1.
What is the InChIKey of 2-(1-methylimidazol-2-yl)sulfanyl-N-pyrimidin-2-ylacetamide?
The InChIKey is XSDGTNNOVXGQLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N5OS/c1-15-6-5-13-10(15)17-7-8(16)14-9-11-3-2-4-12-9/h2-6H,7H2,1H3,(H,11,12,14,16).
What are the key properties of 2-(1-methylimidazol-2-yl)sulfanyl-N-pyrimidin-2-ylacetamide?
2-(1-methylimidazol-2-yl)sulfanyl-N-pyrimidin-2-ylacetamide has a molecular weight of 249.30 g/mol, XLogP of 0.94, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylimidazol-2-yl)sulfanyl-N-pyrimidin-2-ylacetamide is sourced from PubChem (CID 1240893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).