N-butyl-2-[6-[(4-methylphenyl)methyl]-7-oxo-[1,3]thiazolo[3,2-b][1,2,4]triazin-3-yl]acetamide

C19H22N4O2S — CID 141454183

IUPACN-butyl-2-[6-[(4-methylphenyl)methyl]-7-oxo-[1,3]thiazolo[3,2-b][1,2,4]triazin-3-yl]acetamide
SMILESCCCCNC(=O)Cc1csc2nc(=O)c(Cc3ccc(C)cc3)nn12
InChIInChI=1S/C19H22N4O2S/c1-3-4-9-20-17(24)11-15-12-26-19-21-18(25)16(22-23(15)19)10-14-7-5-13(2)6-8-14/h5-8,12H,3-4,9-11H2,1-2H3,(H,20,24)
InChIKeyUCBJQGYUSGUSFM-UHFFFAOYSA-N
MW370.48 g/mol
LogP2.51
Rot. Bonds7

About N-butyl-2-[6-[(4-methylphenyl)methyl]-7-oxo-[1,3]thiazolo[3,2-b][1,2,4]triazin-3-yl]acetamide

N-butyl-2-[6-[(4-methylphenyl)methyl]-7-oxo-[1,3]thiazolo[3,2-b][1,2,4]triazin-3-yl]acetamide (PubChem CID 141454183) has the molecular formula C19H22N4O2S and a molecular weight of 370.48 g/mol. Its IUPAC name is N-butyl-2-[6-[(4-methylphenyl)methyl]-7-oxo-[1,3]thiazolo[3,2-b][1,2,4]triazin-3-yl]acetamide.

Molecular Properties

Compound NameN-butyl-2-[6-[(4-methylphenyl)methyl]-7-oxo-[1,3]thiazolo[3,2-b][1,2,4]triazin-3-yl]acetamide
PubChem CID141454183
Molecular FormulaC19H22N4O2S
Molecular Weight370.48 g/mol
Exact Mass370.15
IUPAC NameN-butyl-2-[6-[(4-methylphenyl)methyl]-7-oxo-[1,3]thiazolo[3,2-b][1,2,4]triazin-3-yl]acetamide
SMILESCCCCNC(=O)Cc1csc2nc(=O)c(Cc3ccc(C)cc3)nn12
InChIInChI=1S/C19H22N4O2S/c1-3-4-9-20-17(24)11-15-12-26-19-21-18(25)16(22-23(15)19)10-14-7-5-13(2)6-8-14/h5-8,12H,3-4,9-11H2,1-2H3,(H,20,24)
InChIKeyUCBJQGYUSGUSFM-UHFFFAOYSA-N
XLogP2.51
TPSA76.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.48
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-butyl-2-[6-[(4-methylphenyl)methyl]-7-oxo-[1,3]thiazolo[3,2-b][1,2,4]triazin-3-yl]acetamide?
The IUPAC name of N-butyl-2-[6-[(4-methylphenyl)methyl]-7-oxo-[1,3]thiazolo[3,2-b][1,2,4]triazin-3-yl]acetamide (CID 141454183) is N-butyl-2-[6-[(4-methylphenyl)methyl]-7-oxo-[1,3]thiazolo[3,2-b][1,2,4]triazin-3-yl]acetamide.
What is the SMILES notation for N-butyl-2-[6-[(4-methylphenyl)methyl]-7-oxo-[1,3]thiazolo[3,2-b][1,2,4]triazin-3-yl]acetamide?
The canonical SMILES for N-butyl-2-[6-[(4-methylphenyl)methyl]-7-oxo-[1,3]thiazolo[3,2-b][1,2,4]triazin-3-yl]acetamide is CCCCNC(=O)Cc1csc2nc(=O)c(Cc3ccc(C)cc3)nn12.
What is the InChIKey of N-butyl-2-[6-[(4-methylphenyl)methyl]-7-oxo-[1,3]thiazolo[3,2-b][1,2,4]triazin-3-yl]acetamide?
The InChIKey is UCBJQGYUSGUSFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O2S/c1-3-4-9-20-17(24)11-15-12-26-19-21-18(25)16(22-23(15)19)10-14-7-5-13(2)6-8-14/h5-8,12H,3-4,9-11H2,1-2H3,(H,20,24).
What are the key properties of N-butyl-2-[6-[(4-methylphenyl)methyl]-7-oxo-[1,3]thiazolo[3,2-b][1,2,4]triazin-3-yl]acetamide?
N-butyl-2-[6-[(4-methylphenyl)methyl]-7-oxo-[1,3]thiazolo[3,2-b][1,2,4]triazin-3-yl]acetamide has a molecular weight of 370.48 g/mol, XLogP of 2.51, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-[6-[(4-methylphenyl)methyl]-7-oxo-[1,3]thiazolo[3,2-b][1,2,4]triazin-3-yl]acetamide is sourced from PubChem (CID 141454183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).