4-[(2R)-4-[5-cyclopropyl-2-(1,3-thiazol-2-yl)-1,3-thiazol-4-yl]-4-oxobutan-2-yl]-N-hydroxybenzamide

C20H19N3O3S2 — CID 153217854

IUPAC4-[(2R)-4-[5-cyclopropyl-2-(1,3-thiazol-2-yl)-1,3-thiazol-4-yl]-4-oxobutan-2-yl]-N-hydroxybenzamide
SMILESC[C@H](CC(=O)c1nc(-c2nccs2)sc1C1CC1)c1ccc(C(=O)NO)cc1
InChIInChI=1S/C20H19N3O3S2/c1-11(12-2-6-14(7-3-12)18(25)23-26)10-15(24)16-17(13-4-5-13)28-20(22-16)19-21-8-9-27-19/h2-3,6-9,11,13,26H,4-5,10H2,1H3,(H,23,25)/t11-/m1/s1
InChIKeyWNBGKXYJHJUTLM-LLVKDONJSA-N
MW413.52 g/mol
LogP4.64
Rot. Bonds7

About 4-[(2R)-4-[5-cyclopropyl-2-(1,3-thiazol-2-yl)-1,3-thiazol-4-yl]-4-oxobutan-2-yl]-N-hydroxybenzamide

4-[(2R)-4-[5-cyclopropyl-2-(1,3-thiazol-2-yl)-1,3-thiazol-4-yl]-4-oxobutan-2-yl]-N-hydroxybenzamide (PubChem CID 153217854) has the molecular formula C20H19N3O3S2 and a molecular weight of 413.52 g/mol. Its IUPAC name is 4-[(2R)-4-[5-cyclopropyl-2-(1,3-thiazol-2-yl)-1,3-thiazol-4-yl]-4-oxobutan-2-yl]-N-hydroxybenzamide.

Molecular Properties

Compound Name4-[(2R)-4-[5-cyclopropyl-2-(1,3-thiazol-2-yl)-1,3-thiazol-4-yl]-4-oxobutan-2-yl]-N-hydroxybenzamide
PubChem CID153217854
Molecular FormulaC20H19N3O3S2
Molecular Weight413.52 g/mol
Exact Mass413.09
IUPAC Name4-[(2R)-4-[5-cyclopropyl-2-(1,3-thiazol-2-yl)-1,3-thiazol-4-yl]-4-oxobutan-2-yl]-N-hydroxybenzamide
SMILESC[C@H](CC(=O)c1nc(-c2nccs2)sc1C1CC1)c1ccc(C(=O)NO)cc1
InChIInChI=1S/C20H19N3O3S2/c1-11(12-2-6-14(7-3-12)18(25)23-26)10-15(24)16-17(13-4-5-13)28-20(22-16)19-21-8-9-27-19/h2-3,6-9,11,13,26H,4-5,10H2,1H3,(H,23,25)/t11-/m1/s1
InChIKeyWNBGKXYJHJUTLM-LLVKDONJSA-N
XLogP4.64
TPSA92.18 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.52
LogP ≤ 54.64
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'}

Analyze 4-[(2R)-4-[5-cyclopropyl-2-(1,3-thiazol-2-yl)-1,3-thiazol-4-yl]-4-oxobutan-2-yl]-N-hydroxybenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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-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
5-cyclopropyl-N-[(1R)-1-[4-(hydroxycarbamoyl)phenyl]ethyl]-2-(1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide
CID 139303049
5-cyclopropyl-N-[(1S)-1-[4-(hydroxycarbamoyl)phenyl]-2-methylpropyl]-2-(1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide
CID 139303050

Frequently Asked Questions

What is the IUPAC name of 4-[(2R)-4-[5-cyclopropyl-2-(1,3-thiazol-2-yl)-1,3-thiazol-4-yl]-4-oxobutan-2-yl]-N-hydroxybenzamide?
The IUPAC name of 4-[(2R)-4-[5-cyclopropyl-2-(1,3-thiazol-2-yl)-1,3-thiazol-4-yl]-4-oxobutan-2-yl]-N-hydroxybenzamide (CID 153217854) is 4-[(2R)-4-[5-cyclopropyl-2-(1,3-thiazol-2-yl)-1,3-thiazol-4-yl]-4-oxobutan-2-yl]-N-hydroxybenzamide.
What is the SMILES notation for 4-[(2R)-4-[5-cyclopropyl-2-(1,3-thiazol-2-yl)-1,3-thiazol-4-yl]-4-oxobutan-2-yl]-N-hydroxybenzamide?
The canonical SMILES for 4-[(2R)-4-[5-cyclopropyl-2-(1,3-thiazol-2-yl)-1,3-thiazol-4-yl]-4-oxobutan-2-yl]-N-hydroxybenzamide is C[C@H](CC(=O)c1nc(-c2nccs2)sc1C1CC1)c1ccc(C(=O)NO)cc1.
What is the InChIKey of 4-[(2R)-4-[5-cyclopropyl-2-(1,3-thiazol-2-yl)-1,3-thiazol-4-yl]-4-oxobutan-2-yl]-N-hydroxybenzamide?
The InChIKey is WNBGKXYJHJUTLM-LLVKDONJSA-N. The full InChI is InChI=1S/C20H19N3O3S2/c1-11(12-2-6-14(7-3-12)18(25)23-26)10-15(24)16-17(13-4-5-13)28-20(22-16)19-21-8-9-27-19/h2-3,6-9,11,13,26H,4-5,10H2,1H3,(H,23,25)/t11-/m1/s1.
What are the key properties of 4-[(2R)-4-[5-cyclopropyl-2-(1,3-thiazol-2-yl)-1,3-thiazol-4-yl]-4-oxobutan-2-yl]-N-hydroxybenzamide?
4-[(2R)-4-[5-cyclopropyl-2-(1,3-thiazol-2-yl)-1,3-thiazol-4-yl]-4-oxobutan-2-yl]-N-hydroxybenzamide has a molecular weight of 413.52 g/mol, XLogP of 4.64, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2R)-4-[5-cyclopropyl-2-(1,3-thiazol-2-yl)-1,3-thiazol-4-yl]-4-oxobutan-2-yl]-N-hydroxybenzamide is sourced from PubChem (CID 153217854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).