6-[4-(4-chlorophenyl)-5-phenyl-1,3-thiazol-2-yl]-N-hydroxyhexanamide

C21H21ClN2O2S — CID 11553120

IUPAC6-[4-(4-chlorophenyl)-5-phenyl-1,3-thiazol-2-yl]-N-hydroxyhexanamide
SMILESO=C(CCCCCc1nc(-c2ccc(Cl)cc2)c(-c2ccccc2)s1)NO
InChIInChI=1S/C21H21ClN2O2S/c22-17-13-11-15(12-14-17)20-21(16-7-3-1-4-8-16)27-19(23-20)10-6-2-5-9-18(25)24-26/h1,3-4,7-8,11-14,26H,2,5-6,9-10H2,(H,24,25)
InChIKeyVMKZNZJVJDUBGL-UHFFFAOYSA-N
MW400.93 g/mol
LogP5.74
Rot. Bonds8

About 6-[4-(4-chlorophenyl)-5-phenyl-1,3-thiazol-2-yl]-N-hydroxyhexanamide

6-[4-(4-chlorophenyl)-5-phenyl-1,3-thiazol-2-yl]-N-hydroxyhexanamide (PubChem CID 11553120) has the molecular formula C21H21ClN2O2S and a molecular weight of 400.93 g/mol. Its IUPAC name is 6-[4-(4-chlorophenyl)-5-phenyl-1,3-thiazol-2-yl]-N-hydroxyhexanamide.

Molecular Properties

Compound Name6-[4-(4-chlorophenyl)-5-phenyl-1,3-thiazol-2-yl]-N-hydroxyhexanamide
PubChem CID11553120
Molecular FormulaC21H21ClN2O2S
Molecular Weight400.93 g/mol
Exact Mass400.10
IUPAC Name6-[4-(4-chlorophenyl)-5-phenyl-1,3-thiazol-2-yl]-N-hydroxyhexanamide
SMILESO=C(CCCCCc1nc(-c2ccc(Cl)cc2)c(-c2ccccc2)s1)NO
InChIInChI=1S/C21H21ClN2O2S/c22-17-13-11-15(12-14-17)20-21(16-7-3-1-4-8-16)27-19(23-20)10-6-2-5-9-18(25)24-26/h1,3-4,7-8,11-14,26H,2,5-6,9-10H2,(H,24,25)
InChIKeyVMKZNZJVJDUBGL-UHFFFAOYSA-N
XLogP5.74
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.93
LogP ≤ 55.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-[4-(4-chlorophenyl)-5-phenyl-1,3-thiazol-2-yl]-N-hydroxyhexanamide?
The IUPAC name of 6-[4-(4-chlorophenyl)-5-phenyl-1,3-thiazol-2-yl]-N-hydroxyhexanamide (CID 11553120) is 6-[4-(4-chlorophenyl)-5-phenyl-1,3-thiazol-2-yl]-N-hydroxyhexanamide.
What is the SMILES notation for 6-[4-(4-chlorophenyl)-5-phenyl-1,3-thiazol-2-yl]-N-hydroxyhexanamide?
The canonical SMILES for 6-[4-(4-chlorophenyl)-5-phenyl-1,3-thiazol-2-yl]-N-hydroxyhexanamide is O=C(CCCCCc1nc(-c2ccc(Cl)cc2)c(-c2ccccc2)s1)NO.
What is the InChIKey of 6-[4-(4-chlorophenyl)-5-phenyl-1,3-thiazol-2-yl]-N-hydroxyhexanamide?
The InChIKey is VMKZNZJVJDUBGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21ClN2O2S/c22-17-13-11-15(12-14-17)20-21(16-7-3-1-4-8-16)27-19(23-20)10-6-2-5-9-18(25)24-26/h1,3-4,7-8,11-14,26H,2,5-6,9-10H2,(H,24,25).
What are the key properties of 6-[4-(4-chlorophenyl)-5-phenyl-1,3-thiazol-2-yl]-N-hydroxyhexanamide?
6-[4-(4-chlorophenyl)-5-phenyl-1,3-thiazol-2-yl]-N-hydroxyhexanamide has a molecular weight of 400.93 g/mol, XLogP of 5.74, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(4-chlorophenyl)-5-phenyl-1,3-thiazol-2-yl]-N-hydroxyhexanamide is sourced from PubChem (CID 11553120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).