2-(2-aminoethylsulfanyl)-N-(1H-pyrazol-5-yl)acetamide

C7H12N4OS — CID 84551771

IUPAC2-(2-aminoethylsulfanyl)-N-(1H-pyrazol-5-yl)acetamide
SMILESNCCSCC(=O)Nc1ccn[nH]1
InChIInChI=1S/C7H12N4OS/c8-2-4-13-5-7(12)10-6-1-3-9-11-6/h1,3H,2,4-5,8H2,(H2,9,10,11,12)
InChIKeySSXQWCCFSQXCOZ-UHFFFAOYSA-N
MW200.27 g/mol
LogP0.04
Rot. Bonds5

About 2-(2-aminoethylsulfanyl)-N-(1H-pyrazol-5-yl)acetamide

2-(2-aminoethylsulfanyl)-N-(1H-pyrazol-5-yl)acetamide (PubChem CID 84551771) has the molecular formula C7H12N4OS and a molecular weight of 200.27 g/mol. Its IUPAC name is 2-(2-aminoethylsulfanyl)-N-(1H-pyrazol-5-yl)acetamide.

Molecular Properties

Compound Name2-(2-aminoethylsulfanyl)-N-(1H-pyrazol-5-yl)acetamide
PubChem CID84551771
Molecular FormulaC7H12N4OS
Molecular Weight200.27 g/mol
Exact Mass200.07
IUPAC Name2-(2-aminoethylsulfanyl)-N-(1H-pyrazol-5-yl)acetamide
SMILESNCCSCC(=O)Nc1ccn[nH]1
InChIInChI=1S/C7H12N4OS/c8-2-4-13-5-7(12)10-6-1-3-9-11-6/h1,3H,2,4-5,8H2,(H2,9,10,11,12)
InChIKeySSXQWCCFSQXCOZ-UHFFFAOYSA-N
XLogP0.04
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.27
LogP ≤ 50.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-methylsulfanyl-N-(1H-pyrazol-5-yl)acetamide
CID 61393731
2-tert-butylsulfanyl-N-(1H-pyrazol-5-yl)acetamide
CID 61393876
2-(3-amino-1,2,4-triazol-1-yl)-N-(1H-pyrazol-5-yl)acetamide
CID 61393349
3-phenylsulfanyl-N-(1H-pyrazol-5-yl)propanamide
CID 61393999
3-(2-fluorophenyl)sulfanyl-N-(1H-pyrazol-5-yl)propanamide
CID 60580111
2-[2-oxo-2-(1H-pyrazol-5-ylamino)ethoxy]acetic acid
CID 61393398
2-(2-aminoethylsulfanyl)-N-(2-chloro-4-methylphenyl)acetamide
CID 43249692
N-(1H-pyrazol-5-yl)-2-(2,2,2-trifluoroethylamino)acetamide
CID 78942344
2-(4-bromo-2,5-dimethylphenyl)sulfanyl-N-(1H-pyrazol-5-yl)acetamide
CID 47388358
3-(ethylamino)-N-(1H-pyrazol-5-yl)propanamide
CID 62834246
2-propan-2-yloxy-N-(1H-pyrazol-5-yl)acetamide
CID 112687554
3-methylsulfinyl-N-(1H-pyrazol-5-yl)propanamide
CID 130652327

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethylsulfanyl)-N-(1H-pyrazol-5-yl)acetamide?
The IUPAC name of 2-(2-aminoethylsulfanyl)-N-(1H-pyrazol-5-yl)acetamide (CID 84551771) is 2-(2-aminoethylsulfanyl)-N-(1H-pyrazol-5-yl)acetamide.
What is the SMILES notation for 2-(2-aminoethylsulfanyl)-N-(1H-pyrazol-5-yl)acetamide?
The canonical SMILES for 2-(2-aminoethylsulfanyl)-N-(1H-pyrazol-5-yl)acetamide is NCCSCC(=O)Nc1ccn[nH]1.
What is the InChIKey of 2-(2-aminoethylsulfanyl)-N-(1H-pyrazol-5-yl)acetamide?
The InChIKey is SSXQWCCFSQXCOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4OS/c8-2-4-13-5-7(12)10-6-1-3-9-11-6/h1,3H,2,4-5,8H2,(H2,9,10,11,12).
What are the key properties of 2-(2-aminoethylsulfanyl)-N-(1H-pyrazol-5-yl)acetamide?
2-(2-aminoethylsulfanyl)-N-(1H-pyrazol-5-yl)acetamide has a molecular weight of 200.27 g/mol, XLogP of 0.04, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethylsulfanyl)-N-(1H-pyrazol-5-yl)acetamide is sourced from PubChem (CID 84551771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).