N-hydroxy-2-(4-propan-2-ylphenyl)-1,3-benzothiazole-5-carboxamide

C17H16N2O2S — CID 129283242

IUPACN-hydroxy-2-(4-propan-2-ylphenyl)-1,3-benzothiazole-5-carboxamide
SMILESCC(C)c1ccc(-c2nc3cc(C(=O)NO)ccc3s2)cc1
InChIInChI=1S/C17H16N2O2S/c1-10(2)11-3-5-12(6-4-11)17-18-14-9-13(16(20)19-21)7-8-15(14)22-17/h3-10,21H,1-2H3,(H,19,20)
InChIKeyYIQVYQNMHZMEBO-UHFFFAOYSA-N
MW312.39 g/mol
LogP4.21
Rot. Bonds3

About N-hydroxy-2-(4-propan-2-ylphenyl)-1,3-benzothiazole-5-carboxamide

N-hydroxy-2-(4-propan-2-ylphenyl)-1,3-benzothiazole-5-carboxamide (PubChem CID 129283242) has the molecular formula C17H16N2O2S and a molecular weight of 312.39 g/mol. Its IUPAC name is N-hydroxy-2-(4-propan-2-ylphenyl)-1,3-benzothiazole-5-carboxamide.

Molecular Properties

Compound NameN-hydroxy-2-(4-propan-2-ylphenyl)-1,3-benzothiazole-5-carboxamide
PubChem CID129283242
Molecular FormulaC17H16N2O2S
Molecular Weight312.39 g/mol
Exact Mass312.09
IUPAC NameN-hydroxy-2-(4-propan-2-ylphenyl)-1,3-benzothiazole-5-carboxamide
SMILESCC(C)c1ccc(-c2nc3cc(C(=O)NO)ccc3s2)cc1
InChIInChI=1S/C17H16N2O2S/c1-10(2)11-3-5-12(6-4-11)17-18-14-9-13(16(20)19-21)7-8-15(14)22-17/h3-10,21H,1-2H3,(H,19,20)
InChIKeyYIQVYQNMHZMEBO-UHFFFAOYSA-N
XLogP4.21
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.39
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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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Frequently Asked Questions

What is the IUPAC name of N-hydroxy-2-(4-propan-2-ylphenyl)-1,3-benzothiazole-5-carboxamide?
The IUPAC name of N-hydroxy-2-(4-propan-2-ylphenyl)-1,3-benzothiazole-5-carboxamide (CID 129283242) is N-hydroxy-2-(4-propan-2-ylphenyl)-1,3-benzothiazole-5-carboxamide.
What is the SMILES notation for N-hydroxy-2-(4-propan-2-ylphenyl)-1,3-benzothiazole-5-carboxamide?
The canonical SMILES for N-hydroxy-2-(4-propan-2-ylphenyl)-1,3-benzothiazole-5-carboxamide is CC(C)c1ccc(-c2nc3cc(C(=O)NO)ccc3s2)cc1.
What is the InChIKey of N-hydroxy-2-(4-propan-2-ylphenyl)-1,3-benzothiazole-5-carboxamide?
The InChIKey is YIQVYQNMHZMEBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O2S/c1-10(2)11-3-5-12(6-4-11)17-18-14-9-13(16(20)19-21)7-8-15(14)22-17/h3-10,21H,1-2H3,(H,19,20).
What are the key properties of N-hydroxy-2-(4-propan-2-ylphenyl)-1,3-benzothiazole-5-carboxamide?
N-hydroxy-2-(4-propan-2-ylphenyl)-1,3-benzothiazole-5-carboxamide has a molecular weight of 312.39 g/mol, XLogP of 4.21, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-2-(4-propan-2-ylphenyl)-1,3-benzothiazole-5-carboxamide is sourced from PubChem (CID 129283242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).