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

C14H14N6OS2 — CID 44565087

IUPAC2-amino-N-(5-methyl-1,3-thiazol-2-yl)-5-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]benzamide
SMILESCc1cnc(NC(=O)c2cc(Sc3nncn3C)ccc2N)s1
InChIInChI=1S/C14H14N6OS2/c1-8-6-16-13(22-8)18-12(21)10-5-9(3-4-11(10)15)23-14-19-17-7-20(14)2/h3-7H,15H2,1-2H3,(H,16,18,21)
InChIKeyUSUMNIYLFMJINZ-UHFFFAOYSA-N
MW346.44 g/mol
LogP2.57
Rot. Bonds4

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

2-amino-N-(5-methyl-1,3-thiazol-2-yl)-5-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]benzamide (PubChem CID 44565087) has the molecular formula C14H14N6OS2 and a molecular weight of 346.44 g/mol. Its IUPAC name is 2-amino-N-(5-methyl-1,3-thiazol-2-yl)-5-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]benzamide.

Molecular Properties

Compound Name2-amino-N-(5-methyl-1,3-thiazol-2-yl)-5-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]benzamide
PubChem CID44565087
Molecular FormulaC14H14N6OS2
Molecular Weight346.44 g/mol
Exact Mass346.07
IUPAC Name2-amino-N-(5-methyl-1,3-thiazol-2-yl)-5-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]benzamide
SMILESCc1cnc(NC(=O)c2cc(Sc3nncn3C)ccc2N)s1
InChIInChI=1S/C14H14N6OS2/c1-8-6-16-13(22-8)18-12(21)10-5-9(3-4-11(10)15)23-14-19-17-7-20(14)2/h3-7H,15H2,1-2H3,(H,16,18,21)
InChIKeyUSUMNIYLFMJINZ-UHFFFAOYSA-N
XLogP2.57
TPSA98.72 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.44
LogP ≤ 52.57
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-N-(5-methyl-1,3-thiazol-2-yl)-5-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]benzamide?
The IUPAC name of 2-amino-N-(5-methyl-1,3-thiazol-2-yl)-5-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]benzamide (CID 44565087) is 2-amino-N-(5-methyl-1,3-thiazol-2-yl)-5-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]benzamide.
What is the SMILES notation for 2-amino-N-(5-methyl-1,3-thiazol-2-yl)-5-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]benzamide?
The canonical SMILES for 2-amino-N-(5-methyl-1,3-thiazol-2-yl)-5-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]benzamide is Cc1cnc(NC(=O)c2cc(Sc3nncn3C)ccc2N)s1.
What is the InChIKey of 2-amino-N-(5-methyl-1,3-thiazol-2-yl)-5-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]benzamide?
The InChIKey is USUMNIYLFMJINZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N6OS2/c1-8-6-16-13(22-8)18-12(21)10-5-9(3-4-11(10)15)23-14-19-17-7-20(14)2/h3-7H,15H2,1-2H3,(H,16,18,21).
What are the key properties of 2-amino-N-(5-methyl-1,3-thiazol-2-yl)-5-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]benzamide?
2-amino-N-(5-methyl-1,3-thiazol-2-yl)-5-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]benzamide has a molecular weight of 346.44 g/mol, XLogP of 2.57, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(5-methyl-1,3-thiazol-2-yl)-5-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]benzamide is sourced from PubChem (CID 44565087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).