2-amino-5-ethylsulfanyl-N-(4-methyl-1,3-thiazol-2-yl)benzamide

C13H15N3OS2 — CID 23067445

IUPAC2-amino-5-ethylsulfanyl-N-(4-methyl-1,3-thiazol-2-yl)benzamide
SMILESCCSc1ccc(N)c(C(=O)Nc2nc(C)cs2)c1
InChIInChI=1S/C13H15N3OS2/c1-3-18-9-4-5-11(14)10(6-9)12(17)16-13-15-8(2)7-19-13/h4-7H,3,14H2,1-2H3,(H,15,16,17)
InChIKeyRJTBVUQMPODIAS-UHFFFAOYSA-N
MW293.42 g/mol
LogP3.40
Rot. Bonds4

About 2-amino-5-ethylsulfanyl-N-(4-methyl-1,3-thiazol-2-yl)benzamide

2-amino-5-ethylsulfanyl-N-(4-methyl-1,3-thiazol-2-yl)benzamide (PubChem CID 23067445) has the molecular formula C13H15N3OS2 and a molecular weight of 293.42 g/mol. Its IUPAC name is 2-amino-5-ethylsulfanyl-N-(4-methyl-1,3-thiazol-2-yl)benzamide.

Molecular Properties

Compound Name2-amino-5-ethylsulfanyl-N-(4-methyl-1,3-thiazol-2-yl)benzamide
PubChem CID23067445
Molecular FormulaC13H15N3OS2
Molecular Weight293.42 g/mol
Exact Mass293.07
IUPAC Name2-amino-5-ethylsulfanyl-N-(4-methyl-1,3-thiazol-2-yl)benzamide
SMILESCCSc1ccc(N)c(C(=O)Nc2nc(C)cs2)c1
InChIInChI=1S/C13H15N3OS2/c1-3-18-9-4-5-11(14)10(6-9)12(17)16-13-15-8(2)7-19-13/h4-7H,3,14H2,1-2H3,(H,15,16,17)
InChIKeyRJTBVUQMPODIAS-UHFFFAOYSA-N
XLogP3.40
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.42
LogP ≤ 53.40
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 2-amino-5-ethylsulfanyl-N-(4-methyl-1,3-thiazol-2-yl)benzamide?
The IUPAC name of 2-amino-5-ethylsulfanyl-N-(4-methyl-1,3-thiazol-2-yl)benzamide (CID 23067445) is 2-amino-5-ethylsulfanyl-N-(4-methyl-1,3-thiazol-2-yl)benzamide.
What is the SMILES notation for 2-amino-5-ethylsulfanyl-N-(4-methyl-1,3-thiazol-2-yl)benzamide?
The canonical SMILES for 2-amino-5-ethylsulfanyl-N-(4-methyl-1,3-thiazol-2-yl)benzamide is CCSc1ccc(N)c(C(=O)Nc2nc(C)cs2)c1.
What is the InChIKey of 2-amino-5-ethylsulfanyl-N-(4-methyl-1,3-thiazol-2-yl)benzamide?
The InChIKey is RJTBVUQMPODIAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3OS2/c1-3-18-9-4-5-11(14)10(6-9)12(17)16-13-15-8(2)7-19-13/h4-7H,3,14H2,1-2H3,(H,15,16,17).
What are the key properties of 2-amino-5-ethylsulfanyl-N-(4-methyl-1,3-thiazol-2-yl)benzamide?
2-amino-5-ethylsulfanyl-N-(4-methyl-1,3-thiazol-2-yl)benzamide has a molecular weight of 293.42 g/mol, XLogP of 3.40, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-ethylsulfanyl-N-(4-methyl-1,3-thiazol-2-yl)benzamide is sourced from PubChem (CID 23067445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).