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

C13H15N3OS — CID 102704840

IUPAC5-amino-2,4-dimethyl-N-(5-methyl-1,3-thiazol-2-yl)benzamide
SMILESCc1cnc(NC(=O)c2cc(N)c(C)cc2C)s1
InChIInChI=1S/C13H15N3OS/c1-7-4-8(2)11(14)5-10(7)12(17)16-13-15-6-9(3)18-13/h4-6H,14H2,1-3H3,(H,15,16,17)
InChIKeyJGPCEQAJRFRGTE-UHFFFAOYSA-N
MW261.35 g/mol
LogP2.90
Rot. Bonds2

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

5-amino-2,4-dimethyl-N-(5-methyl-1,3-thiazol-2-yl)benzamide (PubChem CID 102704840) has the molecular formula C13H15N3OS and a molecular weight of 261.35 g/mol. Its IUPAC name is 5-amino-2,4-dimethyl-N-(5-methyl-1,3-thiazol-2-yl)benzamide.

Molecular Properties

Compound Name5-amino-2,4-dimethyl-N-(5-methyl-1,3-thiazol-2-yl)benzamide
PubChem CID102704840
Molecular FormulaC13H15N3OS
Molecular Weight261.35 g/mol
Exact Mass261.09
IUPAC Name5-amino-2,4-dimethyl-N-(5-methyl-1,3-thiazol-2-yl)benzamide
SMILESCc1cnc(NC(=O)c2cc(N)c(C)cc2C)s1
InChIInChI=1S/C13H15N3OS/c1-7-4-8(2)11(14)5-10(7)12(17)16-13-15-6-9(3)18-13/h4-6H,14H2,1-3H3,(H,15,16,17)
InChIKeyJGPCEQAJRFRGTE-UHFFFAOYSA-N
XLogP2.90
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.35
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-amino-2,4-dimethyl-N-(5-methyl-1,3-thiazol-2-yl)benzamide?
The IUPAC name of 5-amino-2,4-dimethyl-N-(5-methyl-1,3-thiazol-2-yl)benzamide (CID 102704840) is 5-amino-2,4-dimethyl-N-(5-methyl-1,3-thiazol-2-yl)benzamide.
What is the SMILES notation for 5-amino-2,4-dimethyl-N-(5-methyl-1,3-thiazol-2-yl)benzamide?
The canonical SMILES for 5-amino-2,4-dimethyl-N-(5-methyl-1,3-thiazol-2-yl)benzamide is Cc1cnc(NC(=O)c2cc(N)c(C)cc2C)s1.
What is the InChIKey of 5-amino-2,4-dimethyl-N-(5-methyl-1,3-thiazol-2-yl)benzamide?
The InChIKey is JGPCEQAJRFRGTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3OS/c1-7-4-8(2)11(14)5-10(7)12(17)16-13-15-6-9(3)18-13/h4-6H,14H2,1-3H3,(H,15,16,17).
What are the key properties of 5-amino-2,4-dimethyl-N-(5-methyl-1,3-thiazol-2-yl)benzamide?
5-amino-2,4-dimethyl-N-(5-methyl-1,3-thiazol-2-yl)benzamide has a molecular weight of 261.35 g/mol, XLogP of 2.90, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2,4-dimethyl-N-(5-methyl-1,3-thiazol-2-yl)benzamide is sourced from PubChem (CID 102704840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).