N-[5-[butyl(propan-2-yl)amino]-2-[(4-cyano-3-methyl-1,2-thiazol-5-yl)diazenyl]phenyl]acetamide

C20H26N6OS — CID 20656507

IUPACN-[5-[butyl(propan-2-yl)amino]-2-[(4-cyano-3-methyl-1,2-thiazol-5-yl)diazenyl]phenyl]acetamide
SMILESCCCCN(c1ccc(/N=N/c2snc(C)c2C#N)c(NC(C)=O)c1)C(C)C
InChIInChI=1S/C20H26N6OS/c1-6-7-10-26(13(2)3)16-8-9-18(19(11-16)22-15(5)27)23-24-20-17(12-21)14(4)25-28-20/h8-9,11,13H,6-7,10H2,1-5H3,(H,22,27)/b24-23+
InChIKeyINHQAXIDQVBSGW-WCWDXBQESA-N
MW398.54 g/mol
LogP5.71
Rot. Bonds8

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

N-[5-[butyl(propan-2-yl)amino]-2-[(4-cyano-3-methyl-1,2-thiazol-5-yl)diazenyl]phenyl]acetamide (PubChem CID 20656507) has the molecular formula C20H26N6OS and a molecular weight of 398.54 g/mol. Its IUPAC name is N-[5-[butyl(propan-2-yl)amino]-2-[(4-cyano-3-methyl-1,2-thiazol-5-yl)diazenyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[5-[butyl(propan-2-yl)amino]-2-[(4-cyano-3-methyl-1,2-thiazol-5-yl)diazenyl]phenyl]acetamide
PubChem CID20656507
Molecular FormulaC20H26N6OS
Molecular Weight398.54 g/mol
Exact Mass398.19
IUPAC NameN-[5-[butyl(propan-2-yl)amino]-2-[(4-cyano-3-methyl-1,2-thiazol-5-yl)diazenyl]phenyl]acetamide
SMILESCCCCN(c1ccc(/N=N/c2snc(C)c2C#N)c(NC(C)=O)c1)C(C)C
InChIInChI=1S/C20H26N6OS/c1-6-7-10-26(13(2)3)16-8-9-18(19(11-16)22-15(5)27)23-24-20-17(12-21)14(4)25-28-20/h8-9,11,13H,6-7,10H2,1-5H3,(H,22,27)/b24-23+
InChIKeyINHQAXIDQVBSGW-WCWDXBQESA-N
XLogP5.71
TPSA93.74 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.54
LogP ≤ 55.71
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-[5-[butyl(propan-2-yl)amino]-2-[(4-cyano-3-methyl-1,2-thiazol-5-yl)diazenyl]phenyl]acetamide?
The IUPAC name of N-[5-[butyl(propan-2-yl)amino]-2-[(4-cyano-3-methyl-1,2-thiazol-5-yl)diazenyl]phenyl]acetamide (CID 20656507) is N-[5-[butyl(propan-2-yl)amino]-2-[(4-cyano-3-methyl-1,2-thiazol-5-yl)diazenyl]phenyl]acetamide.
What is the SMILES notation for N-[5-[butyl(propan-2-yl)amino]-2-[(4-cyano-3-methyl-1,2-thiazol-5-yl)diazenyl]phenyl]acetamide?
The canonical SMILES for N-[5-[butyl(propan-2-yl)amino]-2-[(4-cyano-3-methyl-1,2-thiazol-5-yl)diazenyl]phenyl]acetamide is CCCCN(c1ccc(/N=N/c2snc(C)c2C#N)c(NC(C)=O)c1)C(C)C.
What is the InChIKey of N-[5-[butyl(propan-2-yl)amino]-2-[(4-cyano-3-methyl-1,2-thiazol-5-yl)diazenyl]phenyl]acetamide?
The InChIKey is INHQAXIDQVBSGW-WCWDXBQESA-N. The full InChI is InChI=1S/C20H26N6OS/c1-6-7-10-26(13(2)3)16-8-9-18(19(11-16)22-15(5)27)23-24-20-17(12-21)14(4)25-28-20/h8-9,11,13H,6-7,10H2,1-5H3,(H,22,27)/b24-23+.
What are the key properties of N-[5-[butyl(propan-2-yl)amino]-2-[(4-cyano-3-methyl-1,2-thiazol-5-yl)diazenyl]phenyl]acetamide?
N-[5-[butyl(propan-2-yl)amino]-2-[(4-cyano-3-methyl-1,2-thiazol-5-yl)diazenyl]phenyl]acetamide has a molecular weight of 398.54 g/mol, XLogP of 5.71, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[butyl(propan-2-yl)amino]-2-[(4-cyano-3-methyl-1,2-thiazol-5-yl)diazenyl]phenyl]acetamide is sourced from PubChem (CID 20656507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).