2-(2-aminoethylsulfanyl)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide

C10H18N4OS — CID 43249575

IUPAC2-(2-aminoethylsulfanyl)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
SMILESCc1nn(C)c(C)c1NC(=O)CSCCN
InChIInChI=1S/C10H18N4OS/c1-7-10(8(2)14(3)13-7)12-9(15)6-16-5-4-11/h4-6,11H2,1-3H3,(H,12,15)
InChIKeyBQJDMWYOGASMBZ-UHFFFAOYSA-N
MW242.35 g/mol
LogP0.67
Rot. Bonds5

About 2-(2-aminoethylsulfanyl)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide

2-(2-aminoethylsulfanyl)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide (PubChem CID 43249575) has the molecular formula C10H18N4OS and a molecular weight of 242.35 g/mol. Its IUPAC name is 2-(2-aminoethylsulfanyl)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide.

Molecular Properties

Compound Name2-(2-aminoethylsulfanyl)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
PubChem CID43249575
Molecular FormulaC10H18N4OS
Molecular Weight242.35 g/mol
Exact Mass242.12
IUPAC Name2-(2-aminoethylsulfanyl)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
SMILESCc1nn(C)c(C)c1NC(=O)CSCCN
InChIInChI=1S/C10H18N4OS/c1-7-10(8(2)14(3)13-7)12-9(15)6-16-5-4-11/h4-6,11H2,1-3H3,(H,12,15)
InChIKeyBQJDMWYOGASMBZ-UHFFFAOYSA-N
XLogP0.67
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.35
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethylsulfanyl)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide?
The IUPAC name of 2-(2-aminoethylsulfanyl)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide (CID 43249575) is 2-(2-aminoethylsulfanyl)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide.
What is the SMILES notation for 2-(2-aminoethylsulfanyl)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide?
The canonical SMILES for 2-(2-aminoethylsulfanyl)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide is Cc1nn(C)c(C)c1NC(=O)CSCCN.
What is the InChIKey of 2-(2-aminoethylsulfanyl)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide?
The InChIKey is BQJDMWYOGASMBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4OS/c1-7-10(8(2)14(3)13-7)12-9(15)6-16-5-4-11/h4-6,11H2,1-3H3,(H,12,15).
What are the key properties of 2-(2-aminoethylsulfanyl)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide?
2-(2-aminoethylsulfanyl)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide has a molecular weight of 242.35 g/mol, XLogP of 0.67, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethylsulfanyl)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide is sourced from PubChem (CID 43249575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).