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

C15H16N6OS2 — CID 23067463

IUPAC2-amino-5-[(2,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-methyl-1,3-thiazol-2-yl)benzamide
SMILESCc1csc(NC(=O)c2cc(Sc3nc(C)nn3C)ccc2N)n1
InChIInChI=1S/C15H16N6OS2/c1-8-7-23-14(17-8)19-13(22)11-6-10(4-5-12(11)16)24-15-18-9(2)20-21(15)3/h4-7H,16H2,1-3H3,(H,17,19,22)
InChIKeyJENOZCXGCVAYBH-UHFFFAOYSA-N
MW360.47 g/mol
LogP2.87
Rot. Bonds4

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

2-amino-5-[(2,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-methyl-1,3-thiazol-2-yl)benzamide (PubChem CID 23067463) has the molecular formula C15H16N6OS2 and a molecular weight of 360.47 g/mol. Its IUPAC name is 2-amino-5-[(2,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-methyl-1,3-thiazol-2-yl)benzamide.

Molecular Properties

Compound Name2-amino-5-[(2,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-methyl-1,3-thiazol-2-yl)benzamide
PubChem CID23067463
Molecular FormulaC15H16N6OS2
Molecular Weight360.47 g/mol
Exact Mass360.08
IUPAC Name2-amino-5-[(2,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-methyl-1,3-thiazol-2-yl)benzamide
SMILESCc1csc(NC(=O)c2cc(Sc3nc(C)nn3C)ccc2N)n1
InChIInChI=1S/C15H16N6OS2/c1-8-7-23-14(17-8)19-13(22)11-6-10(4-5-12(11)16)24-15-18-9(2)20-21(15)3/h4-7H,16H2,1-3H3,(H,17,19,22)
InChIKeyJENOZCXGCVAYBH-UHFFFAOYSA-N
XLogP2.87
TPSA98.72 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.47
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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-[(2,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-methyl-1,3-thiazol-2-yl)benzamide?
The IUPAC name of 2-amino-5-[(2,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-methyl-1,3-thiazol-2-yl)benzamide (CID 23067463) is 2-amino-5-[(2,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-methyl-1,3-thiazol-2-yl)benzamide.
What is the SMILES notation for 2-amino-5-[(2,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-methyl-1,3-thiazol-2-yl)benzamide?
The canonical SMILES for 2-amino-5-[(2,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-methyl-1,3-thiazol-2-yl)benzamide is Cc1csc(NC(=O)c2cc(Sc3nc(C)nn3C)ccc2N)n1.
What is the InChIKey of 2-amino-5-[(2,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-methyl-1,3-thiazol-2-yl)benzamide?
The InChIKey is JENOZCXGCVAYBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N6OS2/c1-8-7-23-14(17-8)19-13(22)11-6-10(4-5-12(11)16)24-15-18-9(2)20-21(15)3/h4-7H,16H2,1-3H3,(H,17,19,22).
What are the key properties of 2-amino-5-[(2,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-methyl-1,3-thiazol-2-yl)benzamide?
2-amino-5-[(2,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-methyl-1,3-thiazol-2-yl)benzamide has a molecular weight of 360.47 g/mol, XLogP of 2.87, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-[(2,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-methyl-1,3-thiazol-2-yl)benzamide is sourced from PubChem (CID 23067463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).