N-(4-carbamothioyl-1H-pyrazol-5-yl)-2-thiophen-2-ylacetamide

C10H10N4OS2 — CID 79504537

IUPACN-(4-carbamothioyl-1H-pyrazol-5-yl)-2-thiophen-2-ylacetamide
SMILESNC(=S)c1cn[nH]c1NC(=O)Cc1cccs1
InChIInChI=1S/C10H10N4OS2/c11-9(16)7-5-12-14-10(7)13-8(15)4-6-2-1-3-17-6/h1-3,5H,4H2,(H2,11,16)(H2,12,13,14,15)
InChIKeyAYWGBQIHHOQURR-UHFFFAOYSA-N
MW266.35 g/mol
LogP1.29
Rot. Bonds4

About N-(4-carbamothioyl-1H-pyrazol-5-yl)-2-thiophen-2-ylacetamide

N-(4-carbamothioyl-1H-pyrazol-5-yl)-2-thiophen-2-ylacetamide (PubChem CID 79504537) has the molecular formula C10H10N4OS2 and a molecular weight of 266.35 g/mol. Its IUPAC name is N-(4-carbamothioyl-1H-pyrazol-5-yl)-2-thiophen-2-ylacetamide.

Molecular Properties

Compound NameN-(4-carbamothioyl-1H-pyrazol-5-yl)-2-thiophen-2-ylacetamide
PubChem CID79504537
Molecular FormulaC10H10N4OS2
Molecular Weight266.35 g/mol
Exact Mass266.03
IUPAC NameN-(4-carbamothioyl-1H-pyrazol-5-yl)-2-thiophen-2-ylacetamide
SMILESNC(=S)c1cn[nH]c1NC(=O)Cc1cccs1
InChIInChI=1S/C10H10N4OS2/c11-9(16)7-5-12-14-10(7)13-8(15)4-6-2-1-3-17-6/h1-3,5H,4H2,(H2,11,16)(H2,12,13,14,15)
InChIKeyAYWGBQIHHOQURR-UHFFFAOYSA-N
XLogP1.29
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.35
LogP ≤ 51.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(4-carbamothioyl-1H-pyrazol-5-yl)-2-thiophen-2-ylacetamide?
The IUPAC name of N-(4-carbamothioyl-1H-pyrazol-5-yl)-2-thiophen-2-ylacetamide (CID 79504537) is N-(4-carbamothioyl-1H-pyrazol-5-yl)-2-thiophen-2-ylacetamide.
What is the SMILES notation for N-(4-carbamothioyl-1H-pyrazol-5-yl)-2-thiophen-2-ylacetamide?
The canonical SMILES for N-(4-carbamothioyl-1H-pyrazol-5-yl)-2-thiophen-2-ylacetamide is NC(=S)c1cn[nH]c1NC(=O)Cc1cccs1.
What is the InChIKey of N-(4-carbamothioyl-1H-pyrazol-5-yl)-2-thiophen-2-ylacetamide?
The InChIKey is AYWGBQIHHOQURR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4OS2/c11-9(16)7-5-12-14-10(7)13-8(15)4-6-2-1-3-17-6/h1-3,5H,4H2,(H2,11,16)(H2,12,13,14,15).
What are the key properties of N-(4-carbamothioyl-1H-pyrazol-5-yl)-2-thiophen-2-ylacetamide?
N-(4-carbamothioyl-1H-pyrazol-5-yl)-2-thiophen-2-ylacetamide has a molecular weight of 266.35 g/mol, XLogP of 1.29, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-carbamothioyl-1H-pyrazol-5-yl)-2-thiophen-2-ylacetamide is sourced from PubChem (CID 79504537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).