2-methylsulfanyl-N-[2-[(3-methylthiophen-2-yl)methyl]pyrazol-3-yl]acetamide

C12H15N3OS2 — CID 75412941

IUPAC2-methylsulfanyl-N-[2-[(3-methylthiophen-2-yl)methyl]pyrazol-3-yl]acetamide
SMILESCSCC(=O)Nc1ccnn1Cc1sccc1C
InChIInChI=1S/C12H15N3OS2/c1-9-4-6-18-10(9)7-15-11(3-5-13-15)14-12(16)8-17-2/h3-6H,7-8H2,1-2H3,(H,14,16)
InChIKeyMYOILJOJCRNUKR-UHFFFAOYSA-N
MW281.41 g/mol
LogP2.60
Rot. Bonds5

About 2-methylsulfanyl-N-[2-[(3-methylthiophen-2-yl)methyl]pyrazol-3-yl]acetamide

2-methylsulfanyl-N-[2-[(3-methylthiophen-2-yl)methyl]pyrazol-3-yl]acetamide (PubChem CID 75412941) has the molecular formula C12H15N3OS2 and a molecular weight of 281.41 g/mol. Its IUPAC name is 2-methylsulfanyl-N-[2-[(3-methylthiophen-2-yl)methyl]pyrazol-3-yl]acetamide.

Molecular Properties

Compound Name2-methylsulfanyl-N-[2-[(3-methylthiophen-2-yl)methyl]pyrazol-3-yl]acetamide
PubChem CID75412941
Molecular FormulaC12H15N3OS2
Molecular Weight281.41 g/mol
Exact Mass281.07
IUPAC Name2-methylsulfanyl-N-[2-[(3-methylthiophen-2-yl)methyl]pyrazol-3-yl]acetamide
SMILESCSCC(=O)Nc1ccnn1Cc1sccc1C
InChIInChI=1S/C12H15N3OS2/c1-9-4-6-18-10(9)7-15-11(3-5-13-15)14-12(16)8-17-2/h3-6H,7-8H2,1-2H3,(H,14,16)
InChIKeyMYOILJOJCRNUKR-UHFFFAOYSA-N
XLogP2.60
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.41
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methylsulfanyl-N-[2-[(3-methylthiophen-2-yl)methyl]pyrazol-3-yl]acetamide?
The IUPAC name of 2-methylsulfanyl-N-[2-[(3-methylthiophen-2-yl)methyl]pyrazol-3-yl]acetamide (CID 75412941) is 2-methylsulfanyl-N-[2-[(3-methylthiophen-2-yl)methyl]pyrazol-3-yl]acetamide.
What is the SMILES notation for 2-methylsulfanyl-N-[2-[(3-methylthiophen-2-yl)methyl]pyrazol-3-yl]acetamide?
The canonical SMILES for 2-methylsulfanyl-N-[2-[(3-methylthiophen-2-yl)methyl]pyrazol-3-yl]acetamide is CSCC(=O)Nc1ccnn1Cc1sccc1C.
What is the InChIKey of 2-methylsulfanyl-N-[2-[(3-methylthiophen-2-yl)methyl]pyrazol-3-yl]acetamide?
The InChIKey is MYOILJOJCRNUKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3OS2/c1-9-4-6-18-10(9)7-15-11(3-5-13-15)14-12(16)8-17-2/h3-6H,7-8H2,1-2H3,(H,14,16).
What are the key properties of 2-methylsulfanyl-N-[2-[(3-methylthiophen-2-yl)methyl]pyrazol-3-yl]acetamide?
2-methylsulfanyl-N-[2-[(3-methylthiophen-2-yl)methyl]pyrazol-3-yl]acetamide has a molecular weight of 281.41 g/mol, XLogP of 2.60, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfanyl-N-[2-[(3-methylthiophen-2-yl)methyl]pyrazol-3-yl]acetamide is sourced from PubChem (CID 75412941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).