N-(1H-imidazol-2-yl)thiophene-3-carbothioamide

C8H7N3S2 — CID 54130351

IUPACN-(1H-imidazol-2-yl)thiophene-3-carbothioamide
SMILESS=C(Nc1ncc[nH]1)c1ccsc1
InChIInChI=1S/C8H7N3S2/c12-7(6-1-4-13-5-6)11-8-9-2-3-10-8/h1-5H,(H2,9,10,11,12)
InChIKeyNTXDEFROQJHTIH-UHFFFAOYSA-N
MW209.30 g/mol
LogP2.26
Rot. Bonds2

About N-(1H-imidazol-2-yl)thiophene-3-carbothioamide

N-(1H-imidazol-2-yl)thiophene-3-carbothioamide (PubChem CID 54130351) has the molecular formula C8H7N3S2 and a molecular weight of 209.30 g/mol. Its IUPAC name is N-(1H-imidazol-2-yl)thiophene-3-carbothioamide.

Molecular Properties

Compound NameN-(1H-imidazol-2-yl)thiophene-3-carbothioamide
PubChem CID54130351
Molecular FormulaC8H7N3S2
Molecular Weight209.30 g/mol
Exact Mass209.01
IUPAC NameN-(1H-imidazol-2-yl)thiophene-3-carbothioamide
SMILESS=C(Nc1ncc[nH]1)c1ccsc1
InChIInChI=1S/C8H7N3S2/c12-7(6-1-4-13-5-6)11-8-9-2-3-10-8/h1-5H,(H2,9,10,11,12)
InChIKeyNTXDEFROQJHTIH-UHFFFAOYSA-N
XLogP2.26
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.30
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-(1H-imidazol-2-yl)thiophene-3-carbothioamide?
The IUPAC name of N-(1H-imidazol-2-yl)thiophene-3-carbothioamide (CID 54130351) is N-(1H-imidazol-2-yl)thiophene-3-carbothioamide.
What is the SMILES notation for N-(1H-imidazol-2-yl)thiophene-3-carbothioamide?
The canonical SMILES for N-(1H-imidazol-2-yl)thiophene-3-carbothioamide is S=C(Nc1ncc[nH]1)c1ccsc1.
What is the InChIKey of N-(1H-imidazol-2-yl)thiophene-3-carbothioamide?
The InChIKey is NTXDEFROQJHTIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N3S2/c12-7(6-1-4-13-5-6)11-8-9-2-3-10-8/h1-5H,(H2,9,10,11,12).
What are the key properties of N-(1H-imidazol-2-yl)thiophene-3-carbothioamide?
N-(1H-imidazol-2-yl)thiophene-3-carbothioamide has a molecular weight of 209.30 g/mol, XLogP of 2.26, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-imidazol-2-yl)thiophene-3-carbothioamide is sourced from PubChem (CID 54130351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).