4-[3-[5-cyclopropyl-2-(4,5,6,7-tetrahydro-1,3-benzothiazol-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

C42H40N6O6S4 — CID 162010831

About 4-[3-[5-cyclopropyl-2-(4,5,6,7-tetrahydro-1,3-benzothiazol-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

4-[3-[5-cyclopropyl-2-(4,5,6,7-tetrahydro-1,3-benzothiazol-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 162010831) has the molecular formula C42H40N6O6S4 and a molecular weight of 853.09 g/mol. Its IUPAC name is 4-[3-[5-cyclopropyl-2-(4,5,6,7-tetrahydro-1,3-benzothiazol-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.

Molecular Properties

• Compound Name: 4-[3-[5-cyclopropyl-2-(4,5,6,7-tetrahydro-1,3-benzothiazol-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: 162010831
• Molecular Formula: C42H40N6O6S4
• Molecular Weight: 853.09 g/mol
• Exact Mass: 852.19
• IUPAC Name: 4-[3-[5-cyclopropyl-2-(4,5,6,7-tetrahydro-1,3-benzothiazol-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
• SMILES: O=C(NO)c1ccc(CCC(=O)c2nc(-c3nc4c(s3)CCCC4)sc2C2CC2)cc1.O=C(NO)c1ccc(CCC(=O)c2nc(-c3nccs3)sc2C2CC2)cc1
• InChI: InChI=1S/C23H23N3O3S2.C19H17N3O3S2/c27-17(12-7-13-5-8-15(9-6-13)21(28)26-29)19-20(14-10-11-14)31-23(25-19)22-24-16-3-1-2-4-18(16)30-22;23-14(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/h5-6,8-9,14,29H,1-4,7,10-12H2,(H,26,28);1-2,4-5,9-10,12,25H,3,6-8H2,(H,22,24)
• InChIKey: YTLHZMDVCUUEPD-UHFFFAOYSA-N
• XLogP: 9.04
• TPSA: 184.36 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 14
• Rotatable Bonds: 14
• Heavy Atoms: 58
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	853.09
LogP ≤ 5	9.04
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-[3-[5-cyclopropyl-2-(4,5,6,7-tetrahydro-1,3-benzothiazol-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?

The IUPAC name of 4-[3-[5-cyclopropyl-2-(4,5,6,7-tetrahydro-1,3-benzothiazol-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 (CID 162010831) is 4-[3-[5-cyclopropyl-2-(4,5,6,7-tetrahydro-1,3-benzothiazol-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.

What is the SMILES notation for 4-[3-[5-cyclopropyl-2-(4,5,6,7-tetrahydro-1,3-benzothiazol-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?

The canonical SMILES for 4-[3-[5-cyclopropyl-2-(4,5,6,7-tetrahydro-1,3-benzothiazol-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 is O=C(NO)c1ccc(CCC(=O)c2nc(-c3nc4c(s3)CCCC4)sc2C2CC2)cc1.O=C(NO)c1ccc(CCC(=O)c2nc(-c3nccs3)sc2C2CC2)cc1.

What is the InChIKey of 4-[3-[5-cyclopropyl-2-(4,5,6,7-tetrahydro-1,3-benzothiazol-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?

The InChIKey is YTLHZMDVCUUEPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O3S2.C19H17N3O3S2/c27-17(12-7-13-5-8-15(9-6-13)21(28)26-29)19-20(14-10-11-14)31-23(25-19)22-24-16-3-1-2-4-18(16)30-22;23-14(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/h5-6,8-9,14,29H,1-4,7,10-12H2,(H,26,28);1-2,4-5,9-10,12,25H,3,6-8H2,(H,22,24).

What are the key properties of 4-[3-[5-cyclopropyl-2-(4,5,6,7-tetrahydro-1,3-benzothiazol-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?

4-[3-[5-cyclopropyl-2-(4,5,6,7-tetrahydro-1,3-benzothiazol-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 853.09 g/mol, XLogP of 9.04, 14 rotatable bonds, 4 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[3-[5-cyclopropyl-2-(4,5,6,7-tetrahydro-1,3-benzothiazol-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 is sourced from PubChem (CID 162010831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).