N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-5-chloro-2-hydroxybenzamide

C17H14ClN3O4S — CID 18127839

About N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-5-chloro-2-hydroxybenzamide

N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-5-chloro-2-hydroxybenzamide (PubChem CID 18127839) has the molecular formula C17H14ClN3O4S and a molecular weight of 391.84 g/mol. Its IUPAC name is N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-5-chloro-2-hydroxybenzamide.

Molecular Properties

• Compound Name: N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-5-chloro-2-hydroxybenzamide
• PubChem CID: 18127839
• Molecular Formula: C17H14ClN3O4S
• Molecular Weight: 391.84 g/mol
• Exact Mass: 391.04
• IUPAC Name: N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-5-chloro-2-hydroxybenzamide
• SMILES: CC(=O)NCc1ccc(-c2csc(NC(=O)c3cc(Cl)ccc3O)n2)o1
• InChI: InChI=1S/C17H14ClN3O4S/c1-9(22)19-7-11-3-5-15(25-11)13-8-26-17(20-13)21-16(24)12-6-10(18)2-4-14(12)23/h2-6,8,23H,7H2,1H3,(H,19,22)(H,20,21,24)
• InChIKey: JWMRFKAWVFWYFX-UHFFFAOYSA-N
• XLogP: 3.65
• TPSA: 104.46 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	391.84
LogP ≤ 5	3.65
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-5-chloro-2-hydroxybenzamide?

The IUPAC name of N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-5-chloro-2-hydroxybenzamide (CID 18127839) is N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-5-chloro-2-hydroxybenzamide.

What is the SMILES notation for N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-5-chloro-2-hydroxybenzamide?

The canonical SMILES for N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-5-chloro-2-hydroxybenzamide is CC(=O)NCc1ccc(-c2csc(NC(=O)c3cc(Cl)ccc3O)n2)o1.

What is the InChIKey of N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-5-chloro-2-hydroxybenzamide?

The InChIKey is JWMRFKAWVFWYFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClN3O4S/c1-9(22)19-7-11-3-5-15(25-11)13-8-26-17(20-13)21-16(24)12-6-10(18)2-4-14(12)23/h2-6,8,23H,7H2,1H3,(H,19,22)(H,20,21,24).

What are the key properties of N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-5-chloro-2-hydroxybenzamide?

N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-5-chloro-2-hydroxybenzamide has a molecular weight of 391.84 g/mol, XLogP of 3.65, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-5-chloro-2-hydroxybenzamide is sourced from PubChem (CID 18127839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).