N-[5-[ethyl(4-oxopentan-2-yl)amino]-2-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)diazenyl]phenyl]acetamide

C19H26N6O2S2 — CID 19044087

IUPACN-[5-[ethyl(4-oxopentan-2-yl)amino]-2-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)diazenyl]phenyl]acetamide
SMILESCCSc1nnc(/N=N/c2ccc(N(CC)C(C)CC(C)=O)cc2NC(C)=O)s1
InChIInChI=1S/C19H26N6O2S2/c1-6-25(12(3)10-13(4)26)15-8-9-16(17(11-15)20-14(5)27)21-22-18-23-24-19(29-18)28-7-2/h8-9,11-12H,6-7,10H2,1-5H3,(H,20,27)/b22-21+
InChIKeyJTUWLHNKAYCTDQ-QURGRASLSA-N
MW434.59 g/mol
LogP5.22
Rot. Bonds10

About N-[5-[ethyl(4-oxopentan-2-yl)amino]-2-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)diazenyl]phenyl]acetamide

N-[5-[ethyl(4-oxopentan-2-yl)amino]-2-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)diazenyl]phenyl]acetamide (PubChem CID 19044087) has the molecular formula C19H26N6O2S2 and a molecular weight of 434.59 g/mol. Its IUPAC name is N-[5-[ethyl(4-oxopentan-2-yl)amino]-2-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)diazenyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[5-[ethyl(4-oxopentan-2-yl)amino]-2-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)diazenyl]phenyl]acetamide
PubChem CID19044087
Molecular FormulaC19H26N6O2S2
Molecular Weight434.59 g/mol
Exact Mass434.16
IUPAC NameN-[5-[ethyl(4-oxopentan-2-yl)amino]-2-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)diazenyl]phenyl]acetamide
SMILESCCSc1nnc(/N=N/c2ccc(N(CC)C(C)CC(C)=O)cc2NC(C)=O)s1
InChIInChI=1S/C19H26N6O2S2/c1-6-25(12(3)10-13(4)26)15-8-9-16(17(11-15)20-14(5)27)21-22-18-23-24-19(29-18)28-7-2/h8-9,11-12H,6-7,10H2,1-5H3,(H,20,27)/b22-21+
InChIKeyJTUWLHNKAYCTDQ-QURGRASLSA-N
XLogP5.22
TPSA99.91 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.59
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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-[5-[ethyl(4-oxopentan-2-yl)amino]-2-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)diazenyl]phenyl]acetamide?
The IUPAC name of N-[5-[ethyl(4-oxopentan-2-yl)amino]-2-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)diazenyl]phenyl]acetamide (CID 19044087) is N-[5-[ethyl(4-oxopentan-2-yl)amino]-2-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)diazenyl]phenyl]acetamide.
What is the SMILES notation for N-[5-[ethyl(4-oxopentan-2-yl)amino]-2-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)diazenyl]phenyl]acetamide?
The canonical SMILES for N-[5-[ethyl(4-oxopentan-2-yl)amino]-2-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)diazenyl]phenyl]acetamide is CCSc1nnc(/N=N/c2ccc(N(CC)C(C)CC(C)=O)cc2NC(C)=O)s1.
What is the InChIKey of N-[5-[ethyl(4-oxopentan-2-yl)amino]-2-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)diazenyl]phenyl]acetamide?
The InChIKey is JTUWLHNKAYCTDQ-QURGRASLSA-N. The full InChI is InChI=1S/C19H26N6O2S2/c1-6-25(12(3)10-13(4)26)15-8-9-16(17(11-15)20-14(5)27)21-22-18-23-24-19(29-18)28-7-2/h8-9,11-12H,6-7,10H2,1-5H3,(H,20,27)/b22-21+.
What are the key properties of N-[5-[ethyl(4-oxopentan-2-yl)amino]-2-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)diazenyl]phenyl]acetamide?
N-[5-[ethyl(4-oxopentan-2-yl)amino]-2-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)diazenyl]phenyl]acetamide has a molecular weight of 434.59 g/mol, XLogP of 5.22, 10 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[ethyl(4-oxopentan-2-yl)amino]-2-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)diazenyl]phenyl]acetamide is sourced from PubChem (CID 19044087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).