4-amino-3-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]benzamide

C11H11N3OS2 — CID 63356632

IUPAC4-amino-3-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]benzamide
SMILESCc1csc(Sc2cc(C(N)=O)ccc2N)n1
InChIInChI=1S/C11H11N3OS2/c1-6-5-16-11(14-6)17-9-4-7(10(13)15)2-3-8(9)12/h2-5H,12H2,1H3,(H2,13,15)
InChIKeyUCDVESXWRAMCPJ-UHFFFAOYSA-N
MW265.36 g/mol
LogP2.28
Rot. Bonds3

About 4-amino-3-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]benzamide

4-amino-3-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]benzamide (PubChem CID 63356632) has the molecular formula C11H11N3OS2 and a molecular weight of 265.36 g/mol. Its IUPAC name is 4-amino-3-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]benzamide.

Molecular Properties

Compound Name4-amino-3-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]benzamide
PubChem CID63356632
Molecular FormulaC11H11N3OS2
Molecular Weight265.36 g/mol
Exact Mass265.03
IUPAC Name4-amino-3-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]benzamide
SMILESCc1csc(Sc2cc(C(N)=O)ccc2N)n1
InChIInChI=1S/C11H11N3OS2/c1-6-5-16-11(14-6)17-9-4-7(10(13)15)2-3-8(9)12/h2-5H,12H2,1H3,(H2,13,15)
InChIKeyUCDVESXWRAMCPJ-UHFFFAOYSA-N
XLogP2.28
TPSA82.00 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 ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-amino-3-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]benzamide?
The IUPAC name of 4-amino-3-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]benzamide (CID 63356632) is 4-amino-3-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]benzamide.
What is the SMILES notation for 4-amino-3-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]benzamide?
The canonical SMILES for 4-amino-3-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]benzamide is Cc1csc(Sc2cc(C(N)=O)ccc2N)n1.
What is the InChIKey of 4-amino-3-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]benzamide?
The InChIKey is UCDVESXWRAMCPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3OS2/c1-6-5-16-11(14-6)17-9-4-7(10(13)15)2-3-8(9)12/h2-5H,12H2,1H3,(H2,13,15).
What are the key properties of 4-amino-3-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]benzamide?
4-amino-3-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]benzamide has a molecular weight of 265.36 g/mol, XLogP of 2.28, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]benzamide is sourced from PubChem (CID 63356632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).