N-[5-(benzimidazol-2-ylidenemethyl)-4-hydroxy-2-sulfanylidene-1,3-thiazol-3-yl]-2-phenylacetamide

C19H14N4O2S2 — CID 4762630

IUPACN-[5-(benzimidazol-2-ylidenemethyl)-4-hydroxy-2-sulfanylidene-1,3-thiazol-3-yl]-2-phenylacetamide
SMILESO=C(Cc1ccccc1)Nn1c(O)c(C=C2N=c3ccccc3=N2)sc1=S
InChIInChI=1S/C19H14N4O2S2/c24-17(10-12-6-2-1-3-7-12)22-23-18(25)15(27-19(23)26)11-16-20-13-8-4-5-9-14(13)21-16/h1-9,11,25H,10H2,(H,22,24)
InChIKeyHQMMZVROCXXQNF-UHFFFAOYSA-N
MW394.48 g/mol
LogP2.55
Rot. Bonds4

About N-[5-(benzimidazol-2-ylidenemethyl)-4-hydroxy-2-sulfanylidene-1,3-thiazol-3-yl]-2-phenylacetamide

N-[5-(benzimidazol-2-ylidenemethyl)-4-hydroxy-2-sulfanylidene-1,3-thiazol-3-yl]-2-phenylacetamide (PubChem CID 4762630) has the molecular formula C19H14N4O2S2 and a molecular weight of 394.48 g/mol. Its IUPAC name is N-[5-(benzimidazol-2-ylidenemethyl)-4-hydroxy-2-sulfanylidene-1,3-thiazol-3-yl]-2-phenylacetamide.

Molecular Properties

Compound NameN-[5-(benzimidazol-2-ylidenemethyl)-4-hydroxy-2-sulfanylidene-1,3-thiazol-3-yl]-2-phenylacetamide
PubChem CID4762630
Molecular FormulaC19H14N4O2S2
Molecular Weight394.48 g/mol
Exact Mass394.06
IUPAC NameN-[5-(benzimidazol-2-ylidenemethyl)-4-hydroxy-2-sulfanylidene-1,3-thiazol-3-yl]-2-phenylacetamide
SMILESO=C(Cc1ccccc1)Nn1c(O)c(C=C2N=c3ccccc3=N2)sc1=S
InChIInChI=1S/C19H14N4O2S2/c24-17(10-12-6-2-1-3-7-12)22-23-18(25)15(27-19(23)26)11-16-20-13-8-4-5-9-14(13)21-16/h1-9,11,25H,10H2,(H,22,24)
InChIKeyHQMMZVROCXXQNF-UHFFFAOYSA-N
XLogP2.55
TPSA78.98 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.48
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

CID 1240272
CID 1240272
CID 1864014
CID 1864014
CID 1951250
CID 1951250
CID 1388593
CID 1388593
CID 1975583
CID 1975583
CID 4515432
CID 4515432
CID 4762626
CID 4762626
CID 1349835
CID 1349835
CID 1358848
CID 1358848
CID 1284235
CID 1284235
CID 1974858
CID 1974858
CID 3721568
CID 3721568

Frequently Asked Questions

What is the IUPAC name of N-[5-(benzimidazol-2-ylidenemethyl)-4-hydroxy-2-sulfanylidene-1,3-thiazol-3-yl]-2-phenylacetamide?
The IUPAC name of N-[5-(benzimidazol-2-ylidenemethyl)-4-hydroxy-2-sulfanylidene-1,3-thiazol-3-yl]-2-phenylacetamide (CID 4762630) is N-[5-(benzimidazol-2-ylidenemethyl)-4-hydroxy-2-sulfanylidene-1,3-thiazol-3-yl]-2-phenylacetamide.
What is the SMILES notation for N-[5-(benzimidazol-2-ylidenemethyl)-4-hydroxy-2-sulfanylidene-1,3-thiazol-3-yl]-2-phenylacetamide?
The canonical SMILES for N-[5-(benzimidazol-2-ylidenemethyl)-4-hydroxy-2-sulfanylidene-1,3-thiazol-3-yl]-2-phenylacetamide is O=C(Cc1ccccc1)Nn1c(O)c(C=C2N=c3ccccc3=N2)sc1=S.
What is the InChIKey of N-[5-(benzimidazol-2-ylidenemethyl)-4-hydroxy-2-sulfanylidene-1,3-thiazol-3-yl]-2-phenylacetamide?
The InChIKey is HQMMZVROCXXQNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N4O2S2/c24-17(10-12-6-2-1-3-7-12)22-23-18(25)15(27-19(23)26)11-16-20-13-8-4-5-9-14(13)21-16/h1-9,11,25H,10H2,(H,22,24).
What are the key properties of N-[5-(benzimidazol-2-ylidenemethyl)-4-hydroxy-2-sulfanylidene-1,3-thiazol-3-yl]-2-phenylacetamide?
N-[5-(benzimidazol-2-ylidenemethyl)-4-hydroxy-2-sulfanylidene-1,3-thiazol-3-yl]-2-phenylacetamide has a molecular weight of 394.48 g/mol, XLogP of 2.55, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(benzimidazol-2-ylidenemethyl)-4-hydroxy-2-sulfanylidene-1,3-thiazol-3-yl]-2-phenylacetamide is sourced from PubChem (CID 4762630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).