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

C11H13N5OS — CID 47138059

IUPAC2-(1-methylimidazol-2-yl)sulfanyl-N-pyrimidin-2-ylpropanamide
SMILESCC(Sc1nccn1C)C(=O)Nc1ncccn1
InChIInChI=1S/C11H13N5OS/c1-8(18-11-14-6-7-16(11)2)9(17)15-10-12-4-3-5-13-10/h3-8H,1-2H3,(H,12,13,15,17)
InChIKeyYSASYZOBTHNOND-UHFFFAOYSA-N
MW263.33 g/mol
LogP1.33
Rot. Bonds4

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

2-(1-methylimidazol-2-yl)sulfanyl-N-pyrimidin-2-ylpropanamide (PubChem CID 47138059) has the molecular formula C11H13N5OS and a molecular weight of 263.33 g/mol. Its IUPAC name is 2-(1-methylimidazol-2-yl)sulfanyl-N-pyrimidin-2-ylpropanamide.

Molecular Properties

Compound Name2-(1-methylimidazol-2-yl)sulfanyl-N-pyrimidin-2-ylpropanamide
PubChem CID47138059
Molecular FormulaC11H13N5OS
Molecular Weight263.33 g/mol
Exact Mass263.08
IUPAC Name2-(1-methylimidazol-2-yl)sulfanyl-N-pyrimidin-2-ylpropanamide
SMILESCC(Sc1nccn1C)C(=O)Nc1ncccn1
InChIInChI=1S/C11H13N5OS/c1-8(18-11-14-6-7-16(11)2)9(17)15-10-12-4-3-5-13-10/h3-8H,1-2H3,(H,12,13,15,17)
InChIKeyYSASYZOBTHNOND-UHFFFAOYSA-N
XLogP1.33
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.33
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(5-(ethylthio)-1,3,4-thiadiazol-2-yl)-2-(pyrimidin-2-ylthio)acetamide
CID 2928978
2-(1H-1,2,3-triazol-5-ylthio)-N-pyrimidin-2-ylacetamide
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-[(1-methyl-1H-imidazol-2-yl)thio]ethyl}-2-(trifluoromethyl)pyrimidin-4-amine
CID 72887542
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
Acetamide, N-(4-acetylaminofurazan-3-yl)-2-(pyrimidin-2-ylsulfanyl)-
CID 712223
2-[(4,6-diaminopyrimidin-2-yl)sulfanyl]-N-(pyrimidin-2-yl)acetamide
CID 2168902
2-{[6-amino-4-oxo-1-(prop-2-en-1-yl)-1,4-dihydropyrimidin-2-yl]sulfanyl}-N-(pyrimidin-2-yl)acetamide
CID 5086854
[2-(Pyrimidin-2-ylsulfanyl)-acetyl]-urea
CID 592296

Frequently Asked Questions

What is the IUPAC name of 2-(1-methylimidazol-2-yl)sulfanyl-N-pyrimidin-2-ylpropanamide?
The IUPAC name of 2-(1-methylimidazol-2-yl)sulfanyl-N-pyrimidin-2-ylpropanamide (CID 47138059) is 2-(1-methylimidazol-2-yl)sulfanyl-N-pyrimidin-2-ylpropanamide.
What is the SMILES notation for 2-(1-methylimidazol-2-yl)sulfanyl-N-pyrimidin-2-ylpropanamide?
The canonical SMILES for 2-(1-methylimidazol-2-yl)sulfanyl-N-pyrimidin-2-ylpropanamide is CC(Sc1nccn1C)C(=O)Nc1ncccn1.
What is the InChIKey of 2-(1-methylimidazol-2-yl)sulfanyl-N-pyrimidin-2-ylpropanamide?
The InChIKey is YSASYZOBTHNOND-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5OS/c1-8(18-11-14-6-7-16(11)2)9(17)15-10-12-4-3-5-13-10/h3-8H,1-2H3,(H,12,13,15,17).
What are the key properties of 2-(1-methylimidazol-2-yl)sulfanyl-N-pyrimidin-2-ylpropanamide?
2-(1-methylimidazol-2-yl)sulfanyl-N-pyrimidin-2-ylpropanamide has a molecular weight of 263.33 g/mol, XLogP of 1.33, 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-ylpropanamide is sourced from PubChem (CID 47138059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).