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

C17H20N6OS — CID 20609502

IUPACN-[2-[(4-cyano-3-methyl-1,2-thiazol-5-yl)diazenyl]-5-[ethyl(methyl)amino]phenyl]propanamide
SMILESCCC(=O)Nc1cc(N(C)CC)ccc1/N=N/c1snc(C)c1C#N
InChIInChI=1S/C17H20N6OS/c1-5-16(24)19-15-9-12(23(4)6-2)7-8-14(15)20-21-17-13(10-18)11(3)22-25-17/h7-9H,5-6H2,1-4H3,(H,19,24)/b21-20+
InChIKeyFNGBSUZFNXQUTH-QZQOTICOSA-N
MW356.46 g/mol
LogP4.54
Rot. Bonds6

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

N-[2-[(4-cyano-3-methyl-1,2-thiazol-5-yl)diazenyl]-5-[ethyl(methyl)amino]phenyl]propanamide (PubChem CID 20609502) has the molecular formula C17H20N6OS and a molecular weight of 356.46 g/mol. Its IUPAC name is N-[2-[(4-cyano-3-methyl-1,2-thiazol-5-yl)diazenyl]-5-[ethyl(methyl)amino]phenyl]propanamide.

Molecular Properties

Compound NameN-[2-[(4-cyano-3-methyl-1,2-thiazol-5-yl)diazenyl]-5-[ethyl(methyl)amino]phenyl]propanamide
PubChem CID20609502
Molecular FormulaC17H20N6OS
Molecular Weight356.46 g/mol
Exact Mass356.14
IUPAC NameN-[2-[(4-cyano-3-methyl-1,2-thiazol-5-yl)diazenyl]-5-[ethyl(methyl)amino]phenyl]propanamide
SMILESCCC(=O)Nc1cc(N(C)CC)ccc1/N=N/c1snc(C)c1C#N
InChIInChI=1S/C17H20N6OS/c1-5-16(24)19-15-9-12(23(4)6-2)7-8-14(15)20-21-17-13(10-18)11(3)22-25-17/h7-9H,5-6H2,1-4H3,(H,19,24)/b21-20+
InChIKeyFNGBSUZFNXQUTH-QZQOTICOSA-N
XLogP4.54
TPSA93.74 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.46
LogP ≤ 54.54
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]propanamide?
The IUPAC name of N-[2-[(4-cyano-3-methyl-1,2-thiazol-5-yl)diazenyl]-5-[ethyl(methyl)amino]phenyl]propanamide (CID 20609502) is N-[2-[(4-cyano-3-methyl-1,2-thiazol-5-yl)diazenyl]-5-[ethyl(methyl)amino]phenyl]propanamide.
What is the SMILES notation for N-[2-[(4-cyano-3-methyl-1,2-thiazol-5-yl)diazenyl]-5-[ethyl(methyl)amino]phenyl]propanamide?
The canonical SMILES for N-[2-[(4-cyano-3-methyl-1,2-thiazol-5-yl)diazenyl]-5-[ethyl(methyl)amino]phenyl]propanamide is CCC(=O)Nc1cc(N(C)CC)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-[ethyl(methyl)amino]phenyl]propanamide?
The InChIKey is FNGBSUZFNXQUTH-QZQOTICOSA-N. The full InChI is InChI=1S/C17H20N6OS/c1-5-16(24)19-15-9-12(23(4)6-2)7-8-14(15)20-21-17-13(10-18)11(3)22-25-17/h7-9H,5-6H2,1-4H3,(H,19,24)/b21-20+.
What are the key properties of N-[2-[(4-cyano-3-methyl-1,2-thiazol-5-yl)diazenyl]-5-[ethyl(methyl)amino]phenyl]propanamide?
N-[2-[(4-cyano-3-methyl-1,2-thiazol-5-yl)diazenyl]-5-[ethyl(methyl)amino]phenyl]propanamide has a molecular weight of 356.46 g/mol, XLogP of 4.54, 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]propanamide is sourced from PubChem (CID 20609502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).