N-[5-benzoyl-4-(furan-2-yl)-1,3-thiazol-2-yl]-2-hydroxy-2-methylpropanamide

C18H16N2O4S — CID 23144647

IUPACN-[5-benzoyl-4-(furan-2-yl)-1,3-thiazol-2-yl]-2-hydroxy-2-methylpropanamide
SMILESCC(C)(O)C(=O)Nc1nc(-c2ccco2)c(C(=O)c2ccccc2)s1
InChIInChI=1S/C18H16N2O4S/c1-18(2,23)16(22)20-17-19-13(12-9-6-10-24-12)15(25-17)14(21)11-7-4-3-5-8-11/h3-10,23H,1-2H3,(H,19,20,22)
InChIKeyHLISZMBMBAHXJG-UHFFFAOYSA-N
MW356.40 g/mol
LogP3.34
Rot. Bonds5

About N-[5-benzoyl-4-(furan-2-yl)-1,3-thiazol-2-yl]-2-hydroxy-2-methylpropanamide

N-[5-benzoyl-4-(furan-2-yl)-1,3-thiazol-2-yl]-2-hydroxy-2-methylpropanamide (PubChem CID 23144647) has the molecular formula C18H16N2O4S and a molecular weight of 356.40 g/mol. Its IUPAC name is N-[5-benzoyl-4-(furan-2-yl)-1,3-thiazol-2-yl]-2-hydroxy-2-methylpropanamide.

Molecular Properties

Compound NameN-[5-benzoyl-4-(furan-2-yl)-1,3-thiazol-2-yl]-2-hydroxy-2-methylpropanamide
PubChem CID23144647
Molecular FormulaC18H16N2O4S
Molecular Weight356.40 g/mol
Exact Mass356.08
IUPAC NameN-[5-benzoyl-4-(furan-2-yl)-1,3-thiazol-2-yl]-2-hydroxy-2-methylpropanamide
SMILESCC(C)(O)C(=O)Nc1nc(-c2ccco2)c(C(=O)c2ccccc2)s1
InChIInChI=1S/C18H16N2O4S/c1-18(2,23)16(22)20-17-19-13(12-9-6-10-24-12)15(25-17)14(21)11-7-4-3-5-8-11/h3-10,23H,1-2H3,(H,19,20,22)
InChIKeyHLISZMBMBAHXJG-UHFFFAOYSA-N
XLogP3.34
TPSA92.43 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.40
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[5-benzoyl-4-(furan-2-yl)-1,3-thiazol-2-yl]-2-hydroxy-2-methylpropanamide?
The IUPAC name of N-[5-benzoyl-4-(furan-2-yl)-1,3-thiazol-2-yl]-2-hydroxy-2-methylpropanamide (CID 23144647) is N-[5-benzoyl-4-(furan-2-yl)-1,3-thiazol-2-yl]-2-hydroxy-2-methylpropanamide.
What is the SMILES notation for N-[5-benzoyl-4-(furan-2-yl)-1,3-thiazol-2-yl]-2-hydroxy-2-methylpropanamide?
The canonical SMILES for N-[5-benzoyl-4-(furan-2-yl)-1,3-thiazol-2-yl]-2-hydroxy-2-methylpropanamide is CC(C)(O)C(=O)Nc1nc(-c2ccco2)c(C(=O)c2ccccc2)s1.
What is the InChIKey of N-[5-benzoyl-4-(furan-2-yl)-1,3-thiazol-2-yl]-2-hydroxy-2-methylpropanamide?
The InChIKey is HLISZMBMBAHXJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O4S/c1-18(2,23)16(22)20-17-19-13(12-9-6-10-24-12)15(25-17)14(21)11-7-4-3-5-8-11/h3-10,23H,1-2H3,(H,19,20,22).
What are the key properties of N-[5-benzoyl-4-(furan-2-yl)-1,3-thiazol-2-yl]-2-hydroxy-2-methylpropanamide?
N-[5-benzoyl-4-(furan-2-yl)-1,3-thiazol-2-yl]-2-hydroxy-2-methylpropanamide has a molecular weight of 356.40 g/mol, XLogP of 3.34, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-benzoyl-4-(furan-2-yl)-1,3-thiazol-2-yl]-2-hydroxy-2-methylpropanamide is sourced from PubChem (CID 23144647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).