5-[3-(cyclohexylideneamino)-2-(2-methoxyethylimino)-1,3-thiazol-4-yl]-2-hydroxybenzamide

C19H24N4O3S — CID 7975420

IUPAC5-[3-(cyclohexylideneamino)-2-(2-methoxyethylimino)-1,3-thiazol-4-yl]-2-hydroxybenzamide
SMILESCOCC/N=c1\scc(-c2ccc(O)c(C(N)=O)c2)n1N=C1CCCCC1
InChIInChI=1S/C19H24N4O3S/c1-26-10-9-21-19-23(22-14-5-3-2-4-6-14)16(12-27-19)13-7-8-17(24)15(11-13)18(20)25/h7-8,11-12,24H,2-6,9-10H2,1H3,(H2,20,25)/b21-19-
InChIKeyWQEQTUSUHRFRCF-VZCXRCSSSA-N
MW388.49 g/mol
LogP2.74
Rot. Bonds6

About 5-[3-(cyclohexylideneamino)-2-(2-methoxyethylimino)-1,3-thiazol-4-yl]-2-hydroxybenzamide

5-[3-(cyclohexylideneamino)-2-(2-methoxyethylimino)-1,3-thiazol-4-yl]-2-hydroxybenzamide (PubChem CID 7975420) has the molecular formula C19H24N4O3S and a molecular weight of 388.49 g/mol. Its IUPAC name is 5-[3-(cyclohexylideneamino)-2-(2-methoxyethylimino)-1,3-thiazol-4-yl]-2-hydroxybenzamide.

Molecular Properties

Compound Name5-[3-(cyclohexylideneamino)-2-(2-methoxyethylimino)-1,3-thiazol-4-yl]-2-hydroxybenzamide
PubChem CID7975420
Molecular FormulaC19H24N4O3S
Molecular Weight388.49 g/mol
Exact Mass388.16
IUPAC Name5-[3-(cyclohexylideneamino)-2-(2-methoxyethylimino)-1,3-thiazol-4-yl]-2-hydroxybenzamide
SMILESCOCC/N=c1\scc(-c2ccc(O)c(C(N)=O)c2)n1N=C1CCCCC1
InChIInChI=1S/C19H24N4O3S/c1-26-10-9-21-19-23(22-14-5-3-2-4-6-14)16(12-27-19)13-7-8-17(24)15(11-13)18(20)25/h7-8,11-12,24H,2-6,9-10H2,1H3,(H2,20,25)/b21-19-
InChIKeyWQEQTUSUHRFRCF-VZCXRCSSSA-N
XLogP2.74
TPSA102.20 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.49
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[3-(cyclohexylideneamino)-2-(2-methoxyethylimino)-1,3-thiazol-4-yl]-2-hydroxybenzamide?
The IUPAC name of 5-[3-(cyclohexylideneamino)-2-(2-methoxyethylimino)-1,3-thiazol-4-yl]-2-hydroxybenzamide (CID 7975420) is 5-[3-(cyclohexylideneamino)-2-(2-methoxyethylimino)-1,3-thiazol-4-yl]-2-hydroxybenzamide.
What is the SMILES notation for 5-[3-(cyclohexylideneamino)-2-(2-methoxyethylimino)-1,3-thiazol-4-yl]-2-hydroxybenzamide?
The canonical SMILES for 5-[3-(cyclohexylideneamino)-2-(2-methoxyethylimino)-1,3-thiazol-4-yl]-2-hydroxybenzamide is COCC/N=c1\scc(-c2ccc(O)c(C(N)=O)c2)n1N=C1CCCCC1.
What is the InChIKey of 5-[3-(cyclohexylideneamino)-2-(2-methoxyethylimino)-1,3-thiazol-4-yl]-2-hydroxybenzamide?
The InChIKey is WQEQTUSUHRFRCF-VZCXRCSSSA-N. The full InChI is InChI=1S/C19H24N4O3S/c1-26-10-9-21-19-23(22-14-5-3-2-4-6-14)16(12-27-19)13-7-8-17(24)15(11-13)18(20)25/h7-8,11-12,24H,2-6,9-10H2,1H3,(H2,20,25)/b21-19-.
What are the key properties of 5-[3-(cyclohexylideneamino)-2-(2-methoxyethylimino)-1,3-thiazol-4-yl]-2-hydroxybenzamide?
5-[3-(cyclohexylideneamino)-2-(2-methoxyethylimino)-1,3-thiazol-4-yl]-2-hydroxybenzamide has a molecular weight of 388.49 g/mol, XLogP of 2.74, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(cyclohexylideneamino)-2-(2-methoxyethylimino)-1,3-thiazol-4-yl]-2-hydroxybenzamide is sourced from PubChem (CID 7975420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).