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

C19H17N3O3S2 — CID 146890755

IUPAC4-[3-[5-cyclopropyl-2-(1,3-thiazol-2-yl)-1,3-thiazol-4-yl]-3-oxopropyl]-N-hydroxybenzamide
SMILESO=C(NO)c1ccc(CCC(=O)c2nc(-c3nccs3)sc2C2CC2)cc1
InChIInChI=1S/C19H17N3O3S2/c23-14(8-3-11-1-4-13(5-2-11)17(24)22-25)15-16(12-6-7-12)27-19(21-15)18-20-9-10-26-18/h1-2,4-5,9-10,12,25H,3,6-8H2,(H,22,24)
InChIKeySZNOGRBLVPIKNY-UHFFFAOYSA-N
MW399.50 g/mol
LogP4.08
Rot. Bonds7

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

4-[3-[5-cyclopropyl-2-(1,3-thiazol-2-yl)-1,3-thiazol-4-yl]-3-oxopropyl]-N-hydroxybenzamide (PubChem CID 146890755) has the molecular formula C19H17N3O3S2 and a molecular weight of 399.50 g/mol. Its IUPAC name is 4-[3-[5-cyclopropyl-2-(1,3-thiazol-2-yl)-1,3-thiazol-4-yl]-3-oxopropyl]-N-hydroxybenzamide.

Molecular Properties

Compound Name4-[3-[5-cyclopropyl-2-(1,3-thiazol-2-yl)-1,3-thiazol-4-yl]-3-oxopropyl]-N-hydroxybenzamide
PubChem CID146890755
Molecular FormulaC19H17N3O3S2
Molecular Weight399.50 g/mol
Exact Mass399.07
IUPAC Name4-[3-[5-cyclopropyl-2-(1,3-thiazol-2-yl)-1,3-thiazol-4-yl]-3-oxopropyl]-N-hydroxybenzamide
SMILESO=C(NO)c1ccc(CCC(=O)c2nc(-c3nccs3)sc2C2CC2)cc1
InChIInChI=1S/C19H17N3O3S2/c23-14(8-3-11-1-4-13(5-2-11)17(24)22-25)15-16(12-6-7-12)27-19(21-15)18-20-9-10-26-18/h1-2,4-5,9-10,12,25H,3,6-8H2,(H,22,24)
InChIKeySZNOGRBLVPIKNY-UHFFFAOYSA-N
XLogP4.08
TPSA92.18 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.50
LogP ≤ 54.08
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-[3-[5-cyclopropyl-2-(1,3-thiazol-2-yl)-1,3-thiazol-4-yl]-3-oxopropyl]-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

Frequently Asked Questions

What is the IUPAC name of 4-[3-[5-cyclopropyl-2-(1,3-thiazol-2-yl)-1,3-thiazol-4-yl]-3-oxopropyl]-N-hydroxybenzamide?
The IUPAC name of 4-[3-[5-cyclopropyl-2-(1,3-thiazol-2-yl)-1,3-thiazol-4-yl]-3-oxopropyl]-N-hydroxybenzamide (CID 146890755) is 4-[3-[5-cyclopropyl-2-(1,3-thiazol-2-yl)-1,3-thiazol-4-yl]-3-oxopropyl]-N-hydroxybenzamide.
What is the SMILES notation for 4-[3-[5-cyclopropyl-2-(1,3-thiazol-2-yl)-1,3-thiazol-4-yl]-3-oxopropyl]-N-hydroxybenzamide?
The canonical SMILES for 4-[3-[5-cyclopropyl-2-(1,3-thiazol-2-yl)-1,3-thiazol-4-yl]-3-oxopropyl]-N-hydroxybenzamide is O=C(NO)c1ccc(CCC(=O)c2nc(-c3nccs3)sc2C2CC2)cc1.
What is the InChIKey of 4-[3-[5-cyclopropyl-2-(1,3-thiazol-2-yl)-1,3-thiazol-4-yl]-3-oxopropyl]-N-hydroxybenzamide?
The InChIKey is SZNOGRBLVPIKNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O3S2/c23-14(8-3-11-1-4-13(5-2-11)17(24)22-25)15-16(12-6-7-12)27-19(21-15)18-20-9-10-26-18/h1-2,4-5,9-10,12,25H,3,6-8H2,(H,22,24).
What are the key properties of 4-[3-[5-cyclopropyl-2-(1,3-thiazol-2-yl)-1,3-thiazol-4-yl]-3-oxopropyl]-N-hydroxybenzamide?
4-[3-[5-cyclopropyl-2-(1,3-thiazol-2-yl)-1,3-thiazol-4-yl]-3-oxopropyl]-N-hydroxybenzamide has a molecular weight of 399.50 g/mol, XLogP of 4.08, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[5-cyclopropyl-2-(1,3-thiazol-2-yl)-1,3-thiazol-4-yl]-3-oxopropyl]-N-hydroxybenzamide is sourced from PubChem (CID 146890755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).