4-hexoxy-N-(6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)benzamide

C18H22N4O2S — CID 108763111

IUPAC4-hexoxy-N-(6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)benzamide
SMILESCCCCCCOc1ccc(C(=O)Nc2nc3scc(C)n3n2)cc1
InChIInChI=1S/C18H22N4O2S/c1-3-4-5-6-11-24-15-9-7-14(8-10-15)16(23)19-17-20-18-22(21-17)13(2)12-25-18/h7-10,12H,3-6,11H2,1-2H3,(H,19,21,23)
InChIKeyQMECMQZBAJUGRL-UHFFFAOYSA-N
MW358.47 g/mol
LogP4.31
Rot. Bonds8

About 4-hexoxy-N-(6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)benzamide

4-hexoxy-N-(6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)benzamide (PubChem CID 108763111) has the molecular formula C18H22N4O2S and a molecular weight of 358.47 g/mol. Its IUPAC name is 4-hexoxy-N-(6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)benzamide.

Molecular Properties

Compound Name4-hexoxy-N-(6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)benzamide
PubChem CID108763111
Molecular FormulaC18H22N4O2S
Molecular Weight358.47 g/mol
Exact Mass358.15
IUPAC Name4-hexoxy-N-(6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)benzamide
SMILESCCCCCCOc1ccc(C(=O)Nc2nc3scc(C)n3n2)cc1
InChIInChI=1S/C18H22N4O2S/c1-3-4-5-6-11-24-15-9-7-14(8-10-15)16(23)19-17-20-18-22(21-17)13(2)12-25-18/h7-10,12H,3-6,11H2,1-2H3,(H,19,21,23)
InChIKeyQMECMQZBAJUGRL-UHFFFAOYSA-N
XLogP4.31
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.47
LogP ≤ 54.31
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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Related Compounds

4-hexoxy-N-(6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)benzamide
CID 108751813
4-heptoxy-N-methylbenzamide
CID 3291691
N-(4-methoxyphenyl)-4-octoxybenzamide
CID 71343101
N-(2-tert-butyl-5-methylpyrazol-3-yl)-4-pentoxybenzamide
CID 55727328
4-pentoxy-N-(4-phenyl-1,3-thiazol-2-yl)benzamide
CID 4114659
4-hexoxy-N-(4-iodo-2-methylphenyl)benzamide
CID 19170785
4-pentoxybenzohydrazide
CID 2727702
N-(2,5-dimethylphenyl)-4-pentoxybenzamide
CID 4935012
N-(4-heptoxyphenyl)-4-(4-methoxyphenyl)benzamide
CID 101044220
4-dodecoxy-N-tridecanoylbenzamide
CID 14273876
N-[6-(4-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-3,4-dimethylbenzamide
CID 108729041
4-pentoxy-N-(2,4,6-trimethylphenyl)benzamide
CID 4935004

Frequently Asked Questions

What is the IUPAC name of 4-hexoxy-N-(6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)benzamide?
The IUPAC name of 4-hexoxy-N-(6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)benzamide (CID 108763111) is 4-hexoxy-N-(6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)benzamide.
What is the SMILES notation for 4-hexoxy-N-(6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)benzamide?
The canonical SMILES for 4-hexoxy-N-(6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)benzamide is CCCCCCOc1ccc(C(=O)Nc2nc3scc(C)n3n2)cc1.
What is the InChIKey of 4-hexoxy-N-(6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)benzamide?
The InChIKey is QMECMQZBAJUGRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O2S/c1-3-4-5-6-11-24-15-9-7-14(8-10-15)16(23)19-17-20-18-22(21-17)13(2)12-25-18/h7-10,12H,3-6,11H2,1-2H3,(H,19,21,23).
What are the key properties of 4-hexoxy-N-(6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)benzamide?
4-hexoxy-N-(6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)benzamide has a molecular weight of 358.47 g/mol, XLogP of 4.31, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hexoxy-N-(6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)benzamide is sourced from PubChem (CID 108763111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).