2-(1H-pyrazol-4-yl)-2-[(2-sulfanylacetyl)amino]acetamide

C7H10N4O2S — CID 143555883

IUPAC2-(1H-pyrazol-4-yl)-2-[(2-sulfanylacetyl)amino]acetamide
SMILESNC(=O)C(NC(=O)CS)c1cn[nH]c1
InChIInChI=1S/C7H10N4O2S/c8-7(13)6(11-5(12)3-14)4-1-9-10-2-4/h1-2,6,14H,3H2,(H2,8,13)(H,9,10)(H,11,12)
InChIKeyVLWQYJWNYVUOOH-UHFFFAOYSA-N
MW214.25 g/mol
LogP-1.02
Rot. Bonds4

About 2-(1H-pyrazol-4-yl)-2-[(2-sulfanylacetyl)amino]acetamide

2-(1H-pyrazol-4-yl)-2-[(2-sulfanylacetyl)amino]acetamide (PubChem CID 143555883) has the molecular formula C7H10N4O2S and a molecular weight of 214.25 g/mol. Its IUPAC name is 2-(1H-pyrazol-4-yl)-2-[(2-sulfanylacetyl)amino]acetamide.

Molecular Properties

Compound Name2-(1H-pyrazol-4-yl)-2-[(2-sulfanylacetyl)amino]acetamide
PubChem CID143555883
Molecular FormulaC7H10N4O2S
Molecular Weight214.25 g/mol
Exact Mass214.05
IUPAC Name2-(1H-pyrazol-4-yl)-2-[(2-sulfanylacetyl)amino]acetamide
SMILESNC(=O)C(NC(=O)CS)c1cn[nH]c1
InChIInChI=1S/C7H10N4O2S/c8-7(13)6(11-5(12)3-14)4-1-9-10-2-4/h1-2,6,14H,3H2,(H2,8,13)(H,9,10)(H,11,12)
InChIKeyVLWQYJWNYVUOOH-UHFFFAOYSA-N
XLogP-1.02
TPSA100.87 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.25
LogP ≤ 5-1.02
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

6-(1H-pyrazol-4-yl)piperazin-2-one dihydrochloride
CID 165455541
6-(1H-Pyrazol-4-yl)piperazin-2-one
CID 139343789
5-(1H-pyrazol-4-yl)imidazolidine-2,4-dione
CID 68701992
6-oxo-4,5-dihydro-1H-pyrazolo[4,5-f][1,4]thiazepine-4-carboxamide
CID 69404134
(5S)-5-(1H-pyrazol-4-yl)imidazolidine-2,4-dione
CID 89344273
N-ethyl-2-(1H-pyrazol-4-yl)acetamide
CID 140145173
N-cyclopropyl-2-(1H-pyrazol-4-yl)acetamide
CID 140145237
2-(1H-pyrazol-4-yl)-N-[(3S)-pyrrolidin-3-yl]acetamide
CID 158189270
(2S)-2-amino-4-methylsulfanyl-N-(1H-pyrazol-4-ylmethyl)butanamide
CID 61163851
N~2~-acetyl-N~1~-[2-(1H-pyrazol-4-yl)ethyl]-L-leucinamide
CID 77087979
3-ethyl-5-(1H-pyrazol-4-yl)piperazin-2-one
CID 82401063
3,3-dimethyl-5-(1H-pyrazol-4-yl)piperazin-2-one
CID 82401066

Frequently Asked Questions

What is the IUPAC name of 2-(1H-pyrazol-4-yl)-2-[(2-sulfanylacetyl)amino]acetamide?
The IUPAC name of 2-(1H-pyrazol-4-yl)-2-[(2-sulfanylacetyl)amino]acetamide (CID 143555883) is 2-(1H-pyrazol-4-yl)-2-[(2-sulfanylacetyl)amino]acetamide.
What is the SMILES notation for 2-(1H-pyrazol-4-yl)-2-[(2-sulfanylacetyl)amino]acetamide?
The canonical SMILES for 2-(1H-pyrazol-4-yl)-2-[(2-sulfanylacetyl)amino]acetamide is NC(=O)C(NC(=O)CS)c1cn[nH]c1.
What is the InChIKey of 2-(1H-pyrazol-4-yl)-2-[(2-sulfanylacetyl)amino]acetamide?
The InChIKey is VLWQYJWNYVUOOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N4O2S/c8-7(13)6(11-5(12)3-14)4-1-9-10-2-4/h1-2,6,14H,3H2,(H2,8,13)(H,9,10)(H,11,12).
What are the key properties of 2-(1H-pyrazol-4-yl)-2-[(2-sulfanylacetyl)amino]acetamide?
2-(1H-pyrazol-4-yl)-2-[(2-sulfanylacetyl)amino]acetamide has a molecular weight of 214.25 g/mol, XLogP of -1.02, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-pyrazol-4-yl)-2-[(2-sulfanylacetyl)amino]acetamide is sourced from PubChem (CID 143555883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).