N-[2-[(4-bromo-3-methyl-1,2-thiazol-5-yl)diazenyl]-5-(diethylamino)phenyl]acetamide

C16H20BrN5OS — CID 20508532

IUPACN-[2-[(4-bromo-3-methyl-1,2-thiazol-5-yl)diazenyl]-5-(diethylamino)phenyl]acetamide
SMILESCCN(CC)c1ccc(/N=N/c2snc(C)c2Br)c(NC(C)=O)c1
InChIInChI=1S/C16H20BrN5OS/c1-5-22(6-2)12-7-8-13(14(9-12)18-11(4)23)19-20-16-15(17)10(3)21-24-16/h7-9H,5-6H2,1-4H3,(H,18,23)/b20-19+
InChIKeyATFNIUCBGSNYEB-FMQUCBEESA-N
MW410.34 g/mol
LogP5.43
Rot. Bonds6

About N-[2-[(4-bromo-3-methyl-1,2-thiazol-5-yl)diazenyl]-5-(diethylamino)phenyl]acetamide

N-[2-[(4-bromo-3-methyl-1,2-thiazol-5-yl)diazenyl]-5-(diethylamino)phenyl]acetamide (PubChem CID 20508532) has the molecular formula C16H20BrN5OS and a molecular weight of 410.34 g/mol. Its IUPAC name is N-[2-[(4-bromo-3-methyl-1,2-thiazol-5-yl)diazenyl]-5-(diethylamino)phenyl]acetamide.

Molecular Properties

Compound NameN-[2-[(4-bromo-3-methyl-1,2-thiazol-5-yl)diazenyl]-5-(diethylamino)phenyl]acetamide
PubChem CID20508532
Molecular FormulaC16H20BrN5OS
Molecular Weight410.34 g/mol
Exact Mass409.06
IUPAC NameN-[2-[(4-bromo-3-methyl-1,2-thiazol-5-yl)diazenyl]-5-(diethylamino)phenyl]acetamide
SMILESCCN(CC)c1ccc(/N=N/c2snc(C)c2Br)c(NC(C)=O)c1
InChIInChI=1S/C16H20BrN5OS/c1-5-22(6-2)12-7-8-13(14(9-12)18-11(4)23)19-20-16-15(17)10(3)21-24-16/h7-9H,5-6H2,1-4H3,(H,18,23)/b20-19+
InChIKeyATFNIUCBGSNYEB-FMQUCBEESA-N
XLogP5.43
TPSA69.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.34
LogP ≤ 55.43
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-bromo-3-methyl-1,2-thiazol-5-yl)diazenyl]-5-(diethylamino)phenyl]acetamide?
The IUPAC name of N-[2-[(4-bromo-3-methyl-1,2-thiazol-5-yl)diazenyl]-5-(diethylamino)phenyl]acetamide (CID 20508532) is N-[2-[(4-bromo-3-methyl-1,2-thiazol-5-yl)diazenyl]-5-(diethylamino)phenyl]acetamide.
What is the SMILES notation for N-[2-[(4-bromo-3-methyl-1,2-thiazol-5-yl)diazenyl]-5-(diethylamino)phenyl]acetamide?
The canonical SMILES for N-[2-[(4-bromo-3-methyl-1,2-thiazol-5-yl)diazenyl]-5-(diethylamino)phenyl]acetamide is CCN(CC)c1ccc(/N=N/c2snc(C)c2Br)c(NC(C)=O)c1.
What is the InChIKey of N-[2-[(4-bromo-3-methyl-1,2-thiazol-5-yl)diazenyl]-5-(diethylamino)phenyl]acetamide?
The InChIKey is ATFNIUCBGSNYEB-FMQUCBEESA-N. The full InChI is InChI=1S/C16H20BrN5OS/c1-5-22(6-2)12-7-8-13(14(9-12)18-11(4)23)19-20-16-15(17)10(3)21-24-16/h7-9H,5-6H2,1-4H3,(H,18,23)/b20-19+.
What are the key properties of N-[2-[(4-bromo-3-methyl-1,2-thiazol-5-yl)diazenyl]-5-(diethylamino)phenyl]acetamide?
N-[2-[(4-bromo-3-methyl-1,2-thiazol-5-yl)diazenyl]-5-(diethylamino)phenyl]acetamide has a molecular weight of 410.34 g/mol, XLogP of 5.43, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4-bromo-3-methyl-1,2-thiazol-5-yl)diazenyl]-5-(diethylamino)phenyl]acetamide is sourced from PubChem (CID 20508532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).