5-amino-3-phenyl-2-sulfanylidene-1,3-thiazole-4-carboxamide

C10H9N3OS2 — CID 665786

IUPAC5-amino-3-phenyl-2-sulfanylidene-1,3-thiazole-4-carboxamide
SMILESNC(=O)c1c(N)sc(=S)n1-c1ccccc1
InChIInChI=1S/C10H9N3OS2/c11-8(14)7-9(12)16-10(15)13(7)6-4-2-1-3-5-6/h1-5H,12H2,(H2,11,14)
InChIKeyNOYRGWCSTQEOBI-UHFFFAOYSA-N
MW251.34 g/mol
LogP1.95
Rot. Bonds2

About 5-amino-3-phenyl-2-sulfanylidene-1,3-thiazole-4-carboxamide

5-amino-3-phenyl-2-sulfanylidene-1,3-thiazole-4-carboxamide (PubChem CID 665786) has the molecular formula C10H9N3OS2 and a molecular weight of 251.34 g/mol. Its IUPAC name is 5-amino-3-phenyl-2-sulfanylidene-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-3-phenyl-2-sulfanylidene-1,3-thiazole-4-carboxamide
PubChem CID665786
Molecular FormulaC10H9N3OS2
Molecular Weight251.34 g/mol
Exact Mass251.02
IUPAC Name5-amino-3-phenyl-2-sulfanylidene-1,3-thiazole-4-carboxamide
SMILESNC(=O)c1c(N)sc(=S)n1-c1ccccc1
InChIInChI=1S/C10H9N3OS2/c11-8(14)7-9(12)16-10(15)13(7)6-4-2-1-3-5-6/h1-5H,12H2,(H2,11,14)
InChIKeyNOYRGWCSTQEOBI-UHFFFAOYSA-N
XLogP1.95
TPSA74.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.34
LogP ≤ 51.95
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 5-amino-3-phenyl-2-sulfanylidene-1,3-thiazole-4-carboxamide?
The IUPAC name of 5-amino-3-phenyl-2-sulfanylidene-1,3-thiazole-4-carboxamide (CID 665786) is 5-amino-3-phenyl-2-sulfanylidene-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 5-amino-3-phenyl-2-sulfanylidene-1,3-thiazole-4-carboxamide?
The canonical SMILES for 5-amino-3-phenyl-2-sulfanylidene-1,3-thiazole-4-carboxamide is NC(=O)c1c(N)sc(=S)n1-c1ccccc1.
What is the InChIKey of 5-amino-3-phenyl-2-sulfanylidene-1,3-thiazole-4-carboxamide?
The InChIKey is NOYRGWCSTQEOBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3OS2/c11-8(14)7-9(12)16-10(15)13(7)6-4-2-1-3-5-6/h1-5H,12H2,(H2,11,14).
What are the key properties of 5-amino-3-phenyl-2-sulfanylidene-1,3-thiazole-4-carboxamide?
5-amino-3-phenyl-2-sulfanylidene-1,3-thiazole-4-carboxamide has a molecular weight of 251.34 g/mol, XLogP of 1.95, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-phenyl-2-sulfanylidene-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 665786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).