4-amino-3-(4-bromophenyl)-2-sulfanylidene-1,3-thiazole-5-carboxamide

C10H8BrN3OS2 — CID 3561164

IUPAC4-amino-3-(4-bromophenyl)-2-sulfanylidene-1,3-thiazole-5-carboxamide
SMILESNC(=O)c1sc(=S)n(-c2ccc(Br)cc2)c1N
InChIInChI=1S/C10H8BrN3OS2/c11-5-1-3-6(4-2-5)14-8(12)7(9(13)15)17-10(14)16/h1-4H,12H2,(H2,13,15)
InChIKeyDSLDRNSDVGXMPU-UHFFFAOYSA-N
MW330.23 g/mol
LogP2.71
Rot. Bonds2

About 4-amino-3-(4-bromophenyl)-2-sulfanylidene-1,3-thiazole-5-carboxamide

4-amino-3-(4-bromophenyl)-2-sulfanylidene-1,3-thiazole-5-carboxamide (PubChem CID 3561164) has the molecular formula C10H8BrN3OS2 and a molecular weight of 330.23 g/mol. Its IUPAC name is 4-amino-3-(4-bromophenyl)-2-sulfanylidene-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-3-(4-bromophenyl)-2-sulfanylidene-1,3-thiazole-5-carboxamide
PubChem CID3561164
Molecular FormulaC10H8BrN3OS2
Molecular Weight330.23 g/mol
Exact Mass328.93
IUPAC Name4-amino-3-(4-bromophenyl)-2-sulfanylidene-1,3-thiazole-5-carboxamide
SMILESNC(=O)c1sc(=S)n(-c2ccc(Br)cc2)c1N
InChIInChI=1S/C10H8BrN3OS2/c11-5-1-3-6(4-2-5)14-8(12)7(9(13)15)17-10(14)16/h1-4H,12H2,(H2,13,15)
InChIKeyDSLDRNSDVGXMPU-UHFFFAOYSA-N
XLogP2.71
TPSA74.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.23
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-amino-3-(4-bromophenyl)-2-sulfanylidene-1,3-thiazole-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-(4-bromophenyl)-2-sulfanylidene-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-amino-3-(4-bromophenyl)-2-sulfanylidene-1,3-thiazole-5-carboxamide (CID 3561164) is 4-amino-3-(4-bromophenyl)-2-sulfanylidene-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-amino-3-(4-bromophenyl)-2-sulfanylidene-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-amino-3-(4-bromophenyl)-2-sulfanylidene-1,3-thiazole-5-carboxamide is NC(=O)c1sc(=S)n(-c2ccc(Br)cc2)c1N.
What is the InChIKey of 4-amino-3-(4-bromophenyl)-2-sulfanylidene-1,3-thiazole-5-carboxamide?
The InChIKey is DSLDRNSDVGXMPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrN3OS2/c11-5-1-3-6(4-2-5)14-8(12)7(9(13)15)17-10(14)16/h1-4H,12H2,(H2,13,15).
What are the key properties of 4-amino-3-(4-bromophenyl)-2-sulfanylidene-1,3-thiazole-5-carboxamide?
4-amino-3-(4-bromophenyl)-2-sulfanylidene-1,3-thiazole-5-carboxamide has a molecular weight of 330.23 g/mol, XLogP of 2.71, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-(4-bromophenyl)-2-sulfanylidene-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 3561164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).