3-amino-N-methyl-4-(1,3-thiazol-2-ylsulfanyl)benzamide

C11H11N3OS2 — CID 83000388

IUPAC3-amino-N-methyl-4-(1,3-thiazol-2-ylsulfanyl)benzamide
SMILESCNC(=O)c1ccc(Sc2nccs2)c(N)c1
InChIInChI=1S/C11H11N3OS2/c1-13-10(15)7-2-3-9(8(12)6-7)17-11-14-4-5-16-11/h2-6H,12H2,1H3,(H,13,15)
InChIKeyZRQQZKFVCXQJJR-UHFFFAOYSA-N
MW265.36 g/mol
LogP2.24
Rot. Bonds3

About 3-amino-N-methyl-4-(1,3-thiazol-2-ylsulfanyl)benzamide

3-amino-N-methyl-4-(1,3-thiazol-2-ylsulfanyl)benzamide (PubChem CID 83000388) has the molecular formula C11H11N3OS2 and a molecular weight of 265.36 g/mol. Its IUPAC name is 3-amino-N-methyl-4-(1,3-thiazol-2-ylsulfanyl)benzamide.

Molecular Properties

Compound Name3-amino-N-methyl-4-(1,3-thiazol-2-ylsulfanyl)benzamide
PubChem CID83000388
Molecular FormulaC11H11N3OS2
Molecular Weight265.36 g/mol
Exact Mass265.03
IUPAC Name3-amino-N-methyl-4-(1,3-thiazol-2-ylsulfanyl)benzamide
SMILESCNC(=O)c1ccc(Sc2nccs2)c(N)c1
InChIInChI=1S/C11H11N3OS2/c1-13-10(15)7-2-3-9(8(12)6-7)17-11-14-4-5-16-11/h2-6H,12H2,1H3,(H,13,15)
InChIKeyZRQQZKFVCXQJJR-UHFFFAOYSA-N
XLogP2.24
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiazol_SC_A(3)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-methyl-4-(1,3-thiazol-2-ylsulfanyl)benzamide?
The IUPAC name of 3-amino-N-methyl-4-(1,3-thiazol-2-ylsulfanyl)benzamide (CID 83000388) is 3-amino-N-methyl-4-(1,3-thiazol-2-ylsulfanyl)benzamide.
What is the SMILES notation for 3-amino-N-methyl-4-(1,3-thiazol-2-ylsulfanyl)benzamide?
The canonical SMILES for 3-amino-N-methyl-4-(1,3-thiazol-2-ylsulfanyl)benzamide is CNC(=O)c1ccc(Sc2nccs2)c(N)c1.
What is the InChIKey of 3-amino-N-methyl-4-(1,3-thiazol-2-ylsulfanyl)benzamide?
The InChIKey is ZRQQZKFVCXQJJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3OS2/c1-13-10(15)7-2-3-9(8(12)6-7)17-11-14-4-5-16-11/h2-6H,12H2,1H3,(H,13,15).
What are the key properties of 3-amino-N-methyl-4-(1,3-thiazol-2-ylsulfanyl)benzamide?
3-amino-N-methyl-4-(1,3-thiazol-2-ylsulfanyl)benzamide has a molecular weight of 265.36 g/mol, XLogP of 2.24, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-methyl-4-(1,3-thiazol-2-ylsulfanyl)benzamide is sourced from PubChem (CID 83000388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).