N-(4-carbamothioyl-1-methylpyrazol-5-yl)-2-thiophen-3-ylacetamide

C11H12N4OS2 — CID 79499018

IUPACN-(4-carbamothioyl-1-methylpyrazol-5-yl)-2-thiophen-3-ylacetamide
SMILESCn1ncc(C(N)=S)c1NC(=O)Cc1ccsc1
InChIInChI=1S/C11H12N4OS2/c1-15-11(8(5-13-15)10(12)17)14-9(16)4-7-2-3-18-6-7/h2-3,5-6H,4H2,1H3,(H2,12,17)(H,14,16)
InChIKeyFTFTWKJDZDKYPF-UHFFFAOYSA-N
MW280.38 g/mol
LogP1.30
Rot. Bonds4

About N-(4-carbamothioyl-1-methylpyrazol-5-yl)-2-thiophen-3-ylacetamide

N-(4-carbamothioyl-1-methylpyrazol-5-yl)-2-thiophen-3-ylacetamide (PubChem CID 79499018) has the molecular formula C11H12N4OS2 and a molecular weight of 280.38 g/mol. Its IUPAC name is N-(4-carbamothioyl-1-methylpyrazol-5-yl)-2-thiophen-3-ylacetamide.

Molecular Properties

Compound NameN-(4-carbamothioyl-1-methylpyrazol-5-yl)-2-thiophen-3-ylacetamide
PubChem CID79499018
Molecular FormulaC11H12N4OS2
Molecular Weight280.38 g/mol
Exact Mass280.05
IUPAC NameN-(4-carbamothioyl-1-methylpyrazol-5-yl)-2-thiophen-3-ylacetamide
SMILESCn1ncc(C(N)=S)c1NC(=O)Cc1ccsc1
InChIInChI=1S/C11H12N4OS2/c1-15-11(8(5-13-15)10(12)17)14-9(16)4-7-2-3-18-6-7/h2-3,5-6H,4H2,1H3,(H2,12,17)(H,14,16)
InChIKeyFTFTWKJDZDKYPF-UHFFFAOYSA-N
XLogP1.30
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.38
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-1-methylpyrazol-5-yl)-2-thiophen-3-ylacetamide?
The IUPAC name of N-(4-carbamothioyl-1-methylpyrazol-5-yl)-2-thiophen-3-ylacetamide (CID 79499018) is N-(4-carbamothioyl-1-methylpyrazol-5-yl)-2-thiophen-3-ylacetamide.
What is the SMILES notation for N-(4-carbamothioyl-1-methylpyrazol-5-yl)-2-thiophen-3-ylacetamide?
The canonical SMILES for N-(4-carbamothioyl-1-methylpyrazol-5-yl)-2-thiophen-3-ylacetamide is Cn1ncc(C(N)=S)c1NC(=O)Cc1ccsc1.
What is the InChIKey of N-(4-carbamothioyl-1-methylpyrazol-5-yl)-2-thiophen-3-ylacetamide?
The InChIKey is FTFTWKJDZDKYPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4OS2/c1-15-11(8(5-13-15)10(12)17)14-9(16)4-7-2-3-18-6-7/h2-3,5-6H,4H2,1H3,(H2,12,17)(H,14,16).
What are the key properties of N-(4-carbamothioyl-1-methylpyrazol-5-yl)-2-thiophen-3-ylacetamide?
N-(4-carbamothioyl-1-methylpyrazol-5-yl)-2-thiophen-3-ylacetamide has a molecular weight of 280.38 g/mol, XLogP of 1.30, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-carbamothioyl-1-methylpyrazol-5-yl)-2-thiophen-3-ylacetamide is sourced from PubChem (CID 79499018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).