N-(5-phenyl-2-sulfanylidene-1,3-dihydroimidazol-4-yl)thiophene-2-carboxamide

C14H11N3OS2 — CID 54192156

IUPACN-(5-phenyl-2-sulfanylidene-1,3-dihydroimidazol-4-yl)thiophene-2-carboxamide
SMILESO=C(Nc1[nH]c(=S)[nH]c1-c1ccccc1)c1cccs1
InChIInChI=1S/C14H11N3OS2/c18-13(10-7-4-8-20-10)16-12-11(15-14(19)17-12)9-5-2-1-3-6-9/h1-8H,(H,16,18)(H2,15,17,19)
InChIKeyPJGQULAJDHJMGO-UHFFFAOYSA-N
MW301.40 g/mol
LogP4.05
Rot. Bonds3

About N-(5-phenyl-2-sulfanylidene-1,3-dihydroimidazol-4-yl)thiophene-2-carboxamide

N-(5-phenyl-2-sulfanylidene-1,3-dihydroimidazol-4-yl)thiophene-2-carboxamide (PubChem CID 54192156) has the molecular formula C14H11N3OS2 and a molecular weight of 301.40 g/mol. Its IUPAC name is N-(5-phenyl-2-sulfanylidene-1,3-dihydroimidazol-4-yl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(5-phenyl-2-sulfanylidene-1,3-dihydroimidazol-4-yl)thiophene-2-carboxamide
PubChem CID54192156
Molecular FormulaC14H11N3OS2
Molecular Weight301.40 g/mol
Exact Mass301.03
IUPAC NameN-(5-phenyl-2-sulfanylidene-1,3-dihydroimidazol-4-yl)thiophene-2-carboxamide
SMILESO=C(Nc1[nH]c(=S)[nH]c1-c1ccccc1)c1cccs1
InChIInChI=1S/C14H11N3OS2/c18-13(10-7-4-8-20-10)16-12-11(15-14(19)17-12)9-5-2-1-3-6-9/h1-8H,(H,16,18)(H2,15,17,19)
InChIKeyPJGQULAJDHJMGO-UHFFFAOYSA-N
XLogP4.05
TPSA60.68 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.40
LogP ≤ 54.05
H-Bond Donors ≤ 53
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-(5-phenyl-2-sulfanylidene-1,3-dihydroimidazol-4-yl)thiophene-2-carboxamide?
The IUPAC name of N-(5-phenyl-2-sulfanylidene-1,3-dihydroimidazol-4-yl)thiophene-2-carboxamide (CID 54192156) is N-(5-phenyl-2-sulfanylidene-1,3-dihydroimidazol-4-yl)thiophene-2-carboxamide.
What is the SMILES notation for N-(5-phenyl-2-sulfanylidene-1,3-dihydroimidazol-4-yl)thiophene-2-carboxamide?
The canonical SMILES for N-(5-phenyl-2-sulfanylidene-1,3-dihydroimidazol-4-yl)thiophene-2-carboxamide is O=C(Nc1[nH]c(=S)[nH]c1-c1ccccc1)c1cccs1.
What is the InChIKey of N-(5-phenyl-2-sulfanylidene-1,3-dihydroimidazol-4-yl)thiophene-2-carboxamide?
The InChIKey is PJGQULAJDHJMGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3OS2/c18-13(10-7-4-8-20-10)16-12-11(15-14(19)17-12)9-5-2-1-3-6-9/h1-8H,(H,16,18)(H2,15,17,19).
What are the key properties of N-(5-phenyl-2-sulfanylidene-1,3-dihydroimidazol-4-yl)thiophene-2-carboxamide?
N-(5-phenyl-2-sulfanylidene-1,3-dihydroimidazol-4-yl)thiophene-2-carboxamide has a molecular weight of 301.40 g/mol, XLogP of 4.05, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-phenyl-2-sulfanylidene-1,3-dihydroimidazol-4-yl)thiophene-2-carboxamide is sourced from PubChem (CID 54192156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).