2-(1-methylimidazol-2-yl)sulfanyl-N-(1-methylpyrazol-4-yl)acetamide

C10H13N5OS — CID 47461340

IUPAC2-(1-methylimidazol-2-yl)sulfanyl-N-(1-methylpyrazol-4-yl)acetamide
SMILESCn1cc(NC(=O)CSc2nccn2C)cn1
InChIInChI=1S/C10H13N5OS/c1-14-4-3-11-10(14)17-7-9(16)13-8-5-12-15(2)6-8/h3-6H,7H2,1-2H3,(H,13,16)
InChIKeyYTOLDHDKQZUEKE-UHFFFAOYSA-N
MW251.31 g/mol
LogP0.88
Rot. Bonds4

About 2-(1-methylimidazol-2-yl)sulfanyl-N-(1-methylpyrazol-4-yl)acetamide

2-(1-methylimidazol-2-yl)sulfanyl-N-(1-methylpyrazol-4-yl)acetamide (PubChem CID 47461340) has the molecular formula C10H13N5OS and a molecular weight of 251.31 g/mol. Its IUPAC name is 2-(1-methylimidazol-2-yl)sulfanyl-N-(1-methylpyrazol-4-yl)acetamide.

Molecular Properties

Compound Name2-(1-methylimidazol-2-yl)sulfanyl-N-(1-methylpyrazol-4-yl)acetamide
PubChem CID47461340
Molecular FormulaC10H13N5OS
Molecular Weight251.31 g/mol
Exact Mass251.08
IUPAC Name2-(1-methylimidazol-2-yl)sulfanyl-N-(1-methylpyrazol-4-yl)acetamide
SMILESCn1cc(NC(=O)CSc2nccn2C)cn1
InChIInChI=1S/C10H13N5OS/c1-14-4-3-11-10(14)17-7-9(16)13-8-5-12-15(2)6-8/h3-6H,7H2,1-2H3,(H,13,16)
InChIKeyYTOLDHDKQZUEKE-UHFFFAOYSA-N
XLogP0.88
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.31
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(1-methylimidazol-2-yl)sulfanyl-N-(1-methylpyrazol-4-yl)acetamide?
The IUPAC name of 2-(1-methylimidazol-2-yl)sulfanyl-N-(1-methylpyrazol-4-yl)acetamide (CID 47461340) is 2-(1-methylimidazol-2-yl)sulfanyl-N-(1-methylpyrazol-4-yl)acetamide.
What is the SMILES notation for 2-(1-methylimidazol-2-yl)sulfanyl-N-(1-methylpyrazol-4-yl)acetamide?
The canonical SMILES for 2-(1-methylimidazol-2-yl)sulfanyl-N-(1-methylpyrazol-4-yl)acetamide is Cn1cc(NC(=O)CSc2nccn2C)cn1.
What is the InChIKey of 2-(1-methylimidazol-2-yl)sulfanyl-N-(1-methylpyrazol-4-yl)acetamide?
The InChIKey is YTOLDHDKQZUEKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5OS/c1-14-4-3-11-10(14)17-7-9(16)13-8-5-12-15(2)6-8/h3-6H,7H2,1-2H3,(H,13,16).
What are the key properties of 2-(1-methylimidazol-2-yl)sulfanyl-N-(1-methylpyrazol-4-yl)acetamide?
2-(1-methylimidazol-2-yl)sulfanyl-N-(1-methylpyrazol-4-yl)acetamide has a molecular weight of 251.31 g/mol, XLogP of 0.88, 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-(1-methylpyrazol-4-yl)acetamide is sourced from PubChem (CID 47461340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).