N-[2-[(4-cyano-3-methyl-1,2-thiazol-5-yl)diazenyl]-5-methylphenyl]acetamide

C14H13N5OS — CID 18720614

IUPACN-[2-[(4-cyano-3-methyl-1,2-thiazol-5-yl)diazenyl]-5-methylphenyl]acetamide
SMILESCC(=O)Nc1cc(C)ccc1/N=N/c1snc(C)c1C#N
InChIInChI=1S/C14H13N5OS/c1-8-4-5-12(13(6-8)16-10(3)20)17-18-14-11(7-15)9(2)19-21-14/h4-6H,1-3H3,(H,16,20)/b18-17+
InChIKeyPGMFQUYCFNHKJY-ISLYRVAYSA-N
MW299.36 g/mol
LogP4.01
Rot. Bonds3

About N-[2-[(4-cyano-3-methyl-1,2-thiazol-5-yl)diazenyl]-5-methylphenyl]acetamide

N-[2-[(4-cyano-3-methyl-1,2-thiazol-5-yl)diazenyl]-5-methylphenyl]acetamide (PubChem CID 18720614) has the molecular formula C14H13N5OS and a molecular weight of 299.36 g/mol. Its IUPAC name is N-[2-[(4-cyano-3-methyl-1,2-thiazol-5-yl)diazenyl]-5-methylphenyl]acetamide.

Molecular Properties

Compound NameN-[2-[(4-cyano-3-methyl-1,2-thiazol-5-yl)diazenyl]-5-methylphenyl]acetamide
PubChem CID18720614
Molecular FormulaC14H13N5OS
Molecular Weight299.36 g/mol
Exact Mass299.08
IUPAC NameN-[2-[(4-cyano-3-methyl-1,2-thiazol-5-yl)diazenyl]-5-methylphenyl]acetamide
SMILESCC(=O)Nc1cc(C)ccc1/N=N/c1snc(C)c1C#N
InChIInChI=1S/C14H13N5OS/c1-8-4-5-12(13(6-8)16-10(3)20)17-18-14-11(7-15)9(2)19-21-14/h4-6H,1-3H3,(H,16,20)/b18-17+
InChIKeyPGMFQUYCFNHKJY-ISLYRVAYSA-N
XLogP4.01
TPSA90.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.36
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-[(4-cyano-3-methyl-1,2-thiazol-5-yl)diazenyl]-5-methylphenyl]acetamide?
The IUPAC name of N-[2-[(4-cyano-3-methyl-1,2-thiazol-5-yl)diazenyl]-5-methylphenyl]acetamide (CID 18720614) is N-[2-[(4-cyano-3-methyl-1,2-thiazol-5-yl)diazenyl]-5-methylphenyl]acetamide.
What is the SMILES notation for N-[2-[(4-cyano-3-methyl-1,2-thiazol-5-yl)diazenyl]-5-methylphenyl]acetamide?
The canonical SMILES for N-[2-[(4-cyano-3-methyl-1,2-thiazol-5-yl)diazenyl]-5-methylphenyl]acetamide is CC(=O)Nc1cc(C)ccc1/N=N/c1snc(C)c1C#N.
What is the InChIKey of N-[2-[(4-cyano-3-methyl-1,2-thiazol-5-yl)diazenyl]-5-methylphenyl]acetamide?
The InChIKey is PGMFQUYCFNHKJY-ISLYRVAYSA-N. The full InChI is InChI=1S/C14H13N5OS/c1-8-4-5-12(13(6-8)16-10(3)20)17-18-14-11(7-15)9(2)19-21-14/h4-6H,1-3H3,(H,16,20)/b18-17+.
What are the key properties of N-[2-[(4-cyano-3-methyl-1,2-thiazol-5-yl)diazenyl]-5-methylphenyl]acetamide?
N-[2-[(4-cyano-3-methyl-1,2-thiazol-5-yl)diazenyl]-5-methylphenyl]acetamide has a molecular weight of 299.36 g/mol, XLogP of 4.01, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4-cyano-3-methyl-1,2-thiazol-5-yl)diazenyl]-5-methylphenyl]acetamide is sourced from PubChem (CID 18720614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).