N-hydroxy-4-[[[5-(4-methylphenyl)-1,3-thiazol-2-yl]-propan-2-ylamino]methyl]benzamide

C21H23N3O2S — CID 45487896

IUPACN-hydroxy-4-[[[5-(4-methylphenyl)-1,3-thiazol-2-yl]-propan-2-ylamino]methyl]benzamide
SMILESCc1ccc(-c2cnc(N(Cc3ccc(C(=O)NO)cc3)C(C)C)s2)cc1
InChIInChI=1S/C21H23N3O2S/c1-14(2)24(13-16-6-10-18(11-7-16)20(25)23-26)21-22-12-19(27-21)17-8-4-15(3)5-9-17/h4-12,14,26H,13H2,1-3H3,(H,23,25)
InChIKeyVODADRVDVAPGKR-UHFFFAOYSA-N
MW381.50 g/mol
LogP4.65
Rot. Bonds6

About N-hydroxy-4-[[[5-(4-methylphenyl)-1,3-thiazol-2-yl]-propan-2-ylamino]methyl]benzamide

N-hydroxy-4-[[[5-(4-methylphenyl)-1,3-thiazol-2-yl]-propan-2-ylamino]methyl]benzamide (PubChem CID 45487896) has the molecular formula C21H23N3O2S and a molecular weight of 381.50 g/mol. Its IUPAC name is N-hydroxy-4-[[[5-(4-methylphenyl)-1,3-thiazol-2-yl]-propan-2-ylamino]methyl]benzamide.

Molecular Properties

Compound NameN-hydroxy-4-[[[5-(4-methylphenyl)-1,3-thiazol-2-yl]-propan-2-ylamino]methyl]benzamide
PubChem CID45487896
Molecular FormulaC21H23N3O2S
Molecular Weight381.50 g/mol
Exact Mass381.15
IUPAC NameN-hydroxy-4-[[[5-(4-methylphenyl)-1,3-thiazol-2-yl]-propan-2-ylamino]methyl]benzamide
SMILESCc1ccc(-c2cnc(N(Cc3ccc(C(=O)NO)cc3)C(C)C)s2)cc1
InChIInChI=1S/C21H23N3O2S/c1-14(2)24(13-16-6-10-18(11-7-16)20(25)23-26)21-22-12-19(27-21)17-8-4-15(3)5-9-17/h4-12,14,26H,13H2,1-3H3,(H,23,25)
InChIKeyVODADRVDVAPGKR-UHFFFAOYSA-N
XLogP4.65
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.50
LogP ≤ 54.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'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 N-hydroxy-4-[[[5-(4-methylphenyl)-1,3-thiazol-2-yl]-propan-2-ylamino]methyl]benzamide?
The IUPAC name of N-hydroxy-4-[[[5-(4-methylphenyl)-1,3-thiazol-2-yl]-propan-2-ylamino]methyl]benzamide (CID 45487896) is N-hydroxy-4-[[[5-(4-methylphenyl)-1,3-thiazol-2-yl]-propan-2-ylamino]methyl]benzamide.
What is the SMILES notation for N-hydroxy-4-[[[5-(4-methylphenyl)-1,3-thiazol-2-yl]-propan-2-ylamino]methyl]benzamide?
The canonical SMILES for N-hydroxy-4-[[[5-(4-methylphenyl)-1,3-thiazol-2-yl]-propan-2-ylamino]methyl]benzamide is Cc1ccc(-c2cnc(N(Cc3ccc(C(=O)NO)cc3)C(C)C)s2)cc1.
What is the InChIKey of N-hydroxy-4-[[[5-(4-methylphenyl)-1,3-thiazol-2-yl]-propan-2-ylamino]methyl]benzamide?
The InChIKey is VODADRVDVAPGKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O2S/c1-14(2)24(13-16-6-10-18(11-7-16)20(25)23-26)21-22-12-19(27-21)17-8-4-15(3)5-9-17/h4-12,14,26H,13H2,1-3H3,(H,23,25).
What are the key properties of N-hydroxy-4-[[[5-(4-methylphenyl)-1,3-thiazol-2-yl]-propan-2-ylamino]methyl]benzamide?
N-hydroxy-4-[[[5-(4-methylphenyl)-1,3-thiazol-2-yl]-propan-2-ylamino]methyl]benzamide has a molecular weight of 381.50 g/mol, XLogP of 4.65, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-4-[[[5-(4-methylphenyl)-1,3-thiazol-2-yl]-propan-2-ylamino]methyl]benzamide is sourced from PubChem (CID 45487896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).