N-(4-carbamothioyl-1-methylpyrazol-5-yl)thiophene-3-carboxamide

C10H10N4OS2 — CID 79499113

IUPACN-(4-carbamothioyl-1-methylpyrazol-5-yl)thiophene-3-carboxamide
SMILESCn1ncc(C(N)=S)c1NC(=O)c1ccsc1
InChIInChI=1S/C10H10N4OS2/c1-14-9(7(4-12-14)8(11)16)13-10(15)6-2-3-17-5-6/h2-5H,1H3,(H2,11,16)(H,13,15)
InChIKeyFWZMBFSODRONIM-UHFFFAOYSA-N
MW266.35 g/mol
LogP1.37
Rot. Bonds3

About N-(4-carbamothioyl-1-methylpyrazol-5-yl)thiophene-3-carboxamide

N-(4-carbamothioyl-1-methylpyrazol-5-yl)thiophene-3-carboxamide (PubChem CID 79499113) has the molecular formula C10H10N4OS2 and a molecular weight of 266.35 g/mol. Its IUPAC name is N-(4-carbamothioyl-1-methylpyrazol-5-yl)thiophene-3-carboxamide.

Molecular Properties

Compound NameN-(4-carbamothioyl-1-methylpyrazol-5-yl)thiophene-3-carboxamide
PubChem CID79499113
Molecular FormulaC10H10N4OS2
Molecular Weight266.35 g/mol
Exact Mass266.03
IUPAC NameN-(4-carbamothioyl-1-methylpyrazol-5-yl)thiophene-3-carboxamide
SMILESCn1ncc(C(N)=S)c1NC(=O)c1ccsc1
InChIInChI=1S/C10H10N4OS2/c1-14-9(7(4-12-14)8(11)16)13-10(15)6-2-3-17-5-6/h2-5H,1H3,(H2,11,16)(H,13,15)
InChIKeyFWZMBFSODRONIM-UHFFFAOYSA-N
XLogP1.37
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.35
LogP ≤ 51.37
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)thiophene-3-carboxamide?
The IUPAC name of N-(4-carbamothioyl-1-methylpyrazol-5-yl)thiophene-3-carboxamide (CID 79499113) is N-(4-carbamothioyl-1-methylpyrazol-5-yl)thiophene-3-carboxamide.
What is the SMILES notation for N-(4-carbamothioyl-1-methylpyrazol-5-yl)thiophene-3-carboxamide?
The canonical SMILES for N-(4-carbamothioyl-1-methylpyrazol-5-yl)thiophene-3-carboxamide is Cn1ncc(C(N)=S)c1NC(=O)c1ccsc1.
What is the InChIKey of N-(4-carbamothioyl-1-methylpyrazol-5-yl)thiophene-3-carboxamide?
The InChIKey is FWZMBFSODRONIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4OS2/c1-14-9(7(4-12-14)8(11)16)13-10(15)6-2-3-17-5-6/h2-5H,1H3,(H2,11,16)(H,13,15).
What are the key properties of N-(4-carbamothioyl-1-methylpyrazol-5-yl)thiophene-3-carboxamide?
N-(4-carbamothioyl-1-methylpyrazol-5-yl)thiophene-3-carboxamide has a molecular weight of 266.35 g/mol, XLogP of 1.37, 3 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)thiophene-3-carboxamide is sourced from PubChem (CID 79499113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).