N-[5-[(2,5-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-4-heptoxybenzamide

C24H26Cl2N2O2S — CID 3928165

IUPACN-[5-[(2,5-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-4-heptoxybenzamide
SMILESCCCCCCCOc1ccc(C(=O)Nc2ncc(Cc3cc(Cl)ccc3Cl)s2)cc1
InChIInChI=1S/C24H26Cl2N2O2S/c1-2-3-4-5-6-13-30-20-10-7-17(8-11-20)23(29)28-24-27-16-21(31-24)15-18-14-19(25)9-12-22(18)26/h7-12,14,16H,2-6,13,15H2,1H3,(H,27,28,29)
InChIKeyIDRYRKZJLQIZFS-UHFFFAOYSA-N
MW477.46 g/mol
LogP7.64
Rot. Bonds11

About N-[5-[(2,5-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-4-heptoxybenzamide

N-[5-[(2,5-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-4-heptoxybenzamide (PubChem CID 3928165) has the molecular formula C24H26Cl2N2O2S and a molecular weight of 477.46 g/mol. Its IUPAC name is N-[5-[(2,5-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-4-heptoxybenzamide.

Molecular Properties

Compound NameN-[5-[(2,5-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-4-heptoxybenzamide
PubChem CID3928165
Molecular FormulaC24H26Cl2N2O2S
Molecular Weight477.46 g/mol
Exact Mass476.11
IUPAC NameN-[5-[(2,5-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-4-heptoxybenzamide
SMILESCCCCCCCOc1ccc(C(=O)Nc2ncc(Cc3cc(Cl)ccc3Cl)s2)cc1
InChIInChI=1S/C24H26Cl2N2O2S/c1-2-3-4-5-6-13-30-20-10-7-17(8-11-20)23(29)28-24-27-16-21(31-24)15-18-14-19(25)9-12-22(18)26/h7-12,14,16H,2-6,13,15H2,1H3,(H,27,28,29)
InChIKeyIDRYRKZJLQIZFS-UHFFFAOYSA-N
XLogP7.64
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500477.46
LogP ≤ 57.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[5-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]-4-pentoxybenzamide
CID 3608845
N-[5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-yl]-4-heptoxybenzamide
CID 3410900
N-[5-[(4-ethylphenyl)methyl]-1,3-thiazol-2-yl]-4-hexoxybenzamide
CID 4591087
4-hexoxy-N-[5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]benzamide
CID 5196825
N-[5-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]-4-ethoxybenzamide
CID 3391293
N-[5-[(2,5-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-3-(2-hydroxyethoxy)-4-methoxybenzamide
CID 45273521
N-(6-chloro-1,3-benzothiazol-2-yl)-4-hexoxybenzamide
CID 18854021
N-[5-[(3,4-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-4-ethoxybenzamide
CID 5025499
3-acetamido-N-[5-[(2,5-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-4-methylbenzamide
CID 46485096
N-(3,4-dichlorophenyl)-4-hexoxybenzamide
CID 4933556
N-[5-[(2,5-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-2-ethoxybenzamide
CID 3891053
N-(5-benzyl-1,3-thiazol-2-yl)-4-propoxybenzamide
CID 4270963

Frequently Asked Questions

What is the IUPAC name of N-[5-[(2,5-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-4-heptoxybenzamide?
The IUPAC name of N-[5-[(2,5-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-4-heptoxybenzamide (CID 3928165) is N-[5-[(2,5-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-4-heptoxybenzamide.
What is the SMILES notation for N-[5-[(2,5-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-4-heptoxybenzamide?
The canonical SMILES for N-[5-[(2,5-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-4-heptoxybenzamide is CCCCCCCOc1ccc(C(=O)Nc2ncc(Cc3cc(Cl)ccc3Cl)s2)cc1.
What is the InChIKey of N-[5-[(2,5-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-4-heptoxybenzamide?
The InChIKey is IDRYRKZJLQIZFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26Cl2N2O2S/c1-2-3-4-5-6-13-30-20-10-7-17(8-11-20)23(29)28-24-27-16-21(31-24)15-18-14-19(25)9-12-22(18)26/h7-12,14,16H,2-6,13,15H2,1H3,(H,27,28,29).
What are the key properties of N-[5-[(2,5-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-4-heptoxybenzamide?
N-[5-[(2,5-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-4-heptoxybenzamide has a molecular weight of 477.46 g/mol, XLogP of 7.64, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(2,5-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-4-heptoxybenzamide is sourced from PubChem (CID 3928165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).