N-[2-[(4-cyano-3-methyl-1,2-thiazol-5-yl)diazenyl]-5-[ethyl(methyl)amino]phenyl]-2-methylpropanamide

C18H22N6OS — CID 20686637

IUPACN-[2-[(4-cyano-3-methyl-1,2-thiazol-5-yl)diazenyl]-5-[ethyl(methyl)amino]phenyl]-2-methylpropanamide
SMILESCCN(C)c1ccc(/N=N/c2snc(C)c2C#N)c(NC(=O)C(C)C)c1
InChIInChI=1S/C18H22N6OS/c1-6-24(5)13-7-8-15(16(9-13)20-17(25)11(2)3)21-22-18-14(10-19)12(4)23-26-18/h7-9,11H,6H2,1-5H3,(H,20,25)/b22-21+
InChIKeyCEBHMEDQMPAXNV-QURGRASLSA-N
MW370.48 g/mol
LogP4.79
Rot. Bonds6

About N-[2-[(4-cyano-3-methyl-1,2-thiazol-5-yl)diazenyl]-5-[ethyl(methyl)amino]phenyl]-2-methylpropanamide

N-[2-[(4-cyano-3-methyl-1,2-thiazol-5-yl)diazenyl]-5-[ethyl(methyl)amino]phenyl]-2-methylpropanamide (PubChem CID 20686637) has the molecular formula C18H22N6OS and a molecular weight of 370.48 g/mol. Its IUPAC name is N-[2-[(4-cyano-3-methyl-1,2-thiazol-5-yl)diazenyl]-5-[ethyl(methyl)amino]phenyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[2-[(4-cyano-3-methyl-1,2-thiazol-5-yl)diazenyl]-5-[ethyl(methyl)amino]phenyl]-2-methylpropanamide
PubChem CID20686637
Molecular FormulaC18H22N6OS
Molecular Weight370.48 g/mol
Exact Mass370.16
IUPAC NameN-[2-[(4-cyano-3-methyl-1,2-thiazol-5-yl)diazenyl]-5-[ethyl(methyl)amino]phenyl]-2-methylpropanamide
SMILESCCN(C)c1ccc(/N=N/c2snc(C)c2C#N)c(NC(=O)C(C)C)c1
InChIInChI=1S/C18H22N6OS/c1-6-24(5)13-7-8-15(16(9-13)20-17(25)11(2)3)21-22-18-14(10-19)12(4)23-26-18/h7-9,11H,6H2,1-5H3,(H,20,25)/b22-21+
InChIKeyCEBHMEDQMPAXNV-QURGRASLSA-N
XLogP4.79
TPSA93.74 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.48
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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-[ethyl(methyl)amino]phenyl]-2-methylpropanamide?
The IUPAC name of N-[2-[(4-cyano-3-methyl-1,2-thiazol-5-yl)diazenyl]-5-[ethyl(methyl)amino]phenyl]-2-methylpropanamide (CID 20686637) is N-[2-[(4-cyano-3-methyl-1,2-thiazol-5-yl)diazenyl]-5-[ethyl(methyl)amino]phenyl]-2-methylpropanamide.
What is the SMILES notation for N-[2-[(4-cyano-3-methyl-1,2-thiazol-5-yl)diazenyl]-5-[ethyl(methyl)amino]phenyl]-2-methylpropanamide?
The canonical SMILES for N-[2-[(4-cyano-3-methyl-1,2-thiazol-5-yl)diazenyl]-5-[ethyl(methyl)amino]phenyl]-2-methylpropanamide is CCN(C)c1ccc(/N=N/c2snc(C)c2C#N)c(NC(=O)C(C)C)c1.
What is the InChIKey of N-[2-[(4-cyano-3-methyl-1,2-thiazol-5-yl)diazenyl]-5-[ethyl(methyl)amino]phenyl]-2-methylpropanamide?
The InChIKey is CEBHMEDQMPAXNV-QURGRASLSA-N. The full InChI is InChI=1S/C18H22N6OS/c1-6-24(5)13-7-8-15(16(9-13)20-17(25)11(2)3)21-22-18-14(10-19)12(4)23-26-18/h7-9,11H,6H2,1-5H3,(H,20,25)/b22-21+.
What are the key properties of N-[2-[(4-cyano-3-methyl-1,2-thiazol-5-yl)diazenyl]-5-[ethyl(methyl)amino]phenyl]-2-methylpropanamide?
N-[2-[(4-cyano-3-methyl-1,2-thiazol-5-yl)diazenyl]-5-[ethyl(methyl)amino]phenyl]-2-methylpropanamide has a molecular weight of 370.48 g/mol, XLogP of 4.79, 6 rotatable bonds, 1 hydrogen bond donors, and 7 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-[ethyl(methyl)amino]phenyl]-2-methylpropanamide is sourced from PubChem (CID 20686637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).