N-hydroxy-4-[2-[5-(2-methylpropyl)-2-(1,3-thiazol-2-yl)-1,3-thiazol-4-yl]-2-oxoethyl]benzamide

C19H19N3O3S2 — CID 149366096

IUPACN-hydroxy-4-[2-[5-(2-methylpropyl)-2-(1,3-thiazol-2-yl)-1,3-thiazol-4-yl]-2-oxoethyl]benzamide
SMILESCC(C)Cc1sc(-c2nccs2)nc1C(=O)Cc1ccc(C(=O)NO)cc1
InChIInChI=1S/C19H19N3O3S2/c1-11(2)9-15-16(21-19(27-15)18-20-7-8-26-18)14(23)10-12-3-5-13(6-4-12)17(24)22-25/h3-8,11,25H,9-10H2,1-2H3,(H,22,24)
InChIKeyYIWPHDCPFXMSNP-UHFFFAOYSA-N
MW401.51 g/mol
LogP4.01
Rot. Bonds7

About N-hydroxy-4-[2-[5-(2-methylpropyl)-2-(1,3-thiazol-2-yl)-1,3-thiazol-4-yl]-2-oxoethyl]benzamide

N-hydroxy-4-[2-[5-(2-methylpropyl)-2-(1,3-thiazol-2-yl)-1,3-thiazol-4-yl]-2-oxoethyl]benzamide (PubChem CID 149366096) has the molecular formula C19H19N3O3S2 and a molecular weight of 401.51 g/mol. Its IUPAC name is N-hydroxy-4-[2-[5-(2-methylpropyl)-2-(1,3-thiazol-2-yl)-1,3-thiazol-4-yl]-2-oxoethyl]benzamide.

Molecular Properties

Compound NameN-hydroxy-4-[2-[5-(2-methylpropyl)-2-(1,3-thiazol-2-yl)-1,3-thiazol-4-yl]-2-oxoethyl]benzamide
PubChem CID149366096
Molecular FormulaC19H19N3O3S2
Molecular Weight401.51 g/mol
Exact Mass401.09
IUPAC NameN-hydroxy-4-[2-[5-(2-methylpropyl)-2-(1,3-thiazol-2-yl)-1,3-thiazol-4-yl]-2-oxoethyl]benzamide
SMILESCC(C)Cc1sc(-c2nccs2)nc1C(=O)Cc1ccc(C(=O)NO)cc1
InChIInChI=1S/C19H19N3O3S2/c1-11(2)9-15-16(21-19(27-15)18-20-7-8-26-18)14(23)10-12-3-5-13(6-4-12)17(24)22-25/h3-8,11,25H,9-10H2,1-2H3,(H,22,24)
InChIKeyYIWPHDCPFXMSNP-UHFFFAOYSA-N
XLogP4.01
TPSA92.18 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.51
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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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Related Compounds

Isothiafludine
CID 23643979
N-[5-(hydroxyamino)-5-oxopentyl]-5-phenyl-2-(1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide
CID 71468164
5-(4-fluorophenyl)-N-[5-(hydroxyamino)-5-oxopentyl]-2-(1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide
CID 71468273
5-(2-chlorophenyl)-N-[5-(hydroxyamino)-5-oxopentyl]-2-(1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide
CID 71468274
N-[5-(hydroxyamino)-5-oxopentyl]-5-(4-nitrophenyl)-2-(1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide
CID 71468277
5-benzyl-N-[5-(hydroxyamino)-5-oxopentyl]-2-(1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide
CID 71468278
US9216962, Cfh401
CID 71468672
5-benzyl-2-(1,3-thiazol-2-yl)-N-(6,6,6-trifluoro-5-oxohexyl)-1,3-thiazole-4-carboxamide
CID 126582837
US9216962, Cfh403-1
CID 136230092
5-cyclopropyl-N-[1-[4-(hydroxycarbamoyl)phenyl]ethyl]-2-(1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide
CID 139302889
5-cyclopropyl-N-[(1S)-1-[4-(hydroxycarbamoyl)phenyl]ethyl]-2-(1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide
CID 139302991
5-cyclopropyl-N-[(1S)-1-[4-(hydroxycarbamoyl)phenyl]ethyl]-2-(5-methyl-1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide
CID 139303021

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-4-[2-[5-(2-methylpropyl)-2-(1,3-thiazol-2-yl)-1,3-thiazol-4-yl]-2-oxoethyl]benzamide?
The IUPAC name of N-hydroxy-4-[2-[5-(2-methylpropyl)-2-(1,3-thiazol-2-yl)-1,3-thiazol-4-yl]-2-oxoethyl]benzamide (CID 149366096) is N-hydroxy-4-[2-[5-(2-methylpropyl)-2-(1,3-thiazol-2-yl)-1,3-thiazol-4-yl]-2-oxoethyl]benzamide.
What is the SMILES notation for N-hydroxy-4-[2-[5-(2-methylpropyl)-2-(1,3-thiazol-2-yl)-1,3-thiazol-4-yl]-2-oxoethyl]benzamide?
The canonical SMILES for N-hydroxy-4-[2-[5-(2-methylpropyl)-2-(1,3-thiazol-2-yl)-1,3-thiazol-4-yl]-2-oxoethyl]benzamide is CC(C)Cc1sc(-c2nccs2)nc1C(=O)Cc1ccc(C(=O)NO)cc1.
What is the InChIKey of N-hydroxy-4-[2-[5-(2-methylpropyl)-2-(1,3-thiazol-2-yl)-1,3-thiazol-4-yl]-2-oxoethyl]benzamide?
The InChIKey is YIWPHDCPFXMSNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O3S2/c1-11(2)9-15-16(21-19(27-15)18-20-7-8-26-18)14(23)10-12-3-5-13(6-4-12)17(24)22-25/h3-8,11,25H,9-10H2,1-2H3,(H,22,24).
What are the key properties of N-hydroxy-4-[2-[5-(2-methylpropyl)-2-(1,3-thiazol-2-yl)-1,3-thiazol-4-yl]-2-oxoethyl]benzamide?
N-hydroxy-4-[2-[5-(2-methylpropyl)-2-(1,3-thiazol-2-yl)-1,3-thiazol-4-yl]-2-oxoethyl]benzamide has a molecular weight of 401.51 g/mol, XLogP of 4.01, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-4-[2-[5-(2-methylpropyl)-2-(1,3-thiazol-2-yl)-1,3-thiazol-4-yl]-2-oxoethyl]benzamide is sourced from PubChem (CID 149366096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).