[1-oxo-1-[(4-phenyl-1,3-thiazol-2-yl)amino]propan-2-yl] 4-hydroxybenzoate

C19H16N2O4S — CID 4879957

IUPAC[1-oxo-1-[(4-phenyl-1,3-thiazol-2-yl)amino]propan-2-yl] 4-hydroxybenzoate
SMILESCC(OC(=O)c1ccc(O)cc1)C(=O)Nc1nc(-c2ccccc2)cs1
InChIInChI=1S/C19H16N2O4S/c1-12(25-18(24)14-7-9-15(22)10-8-14)17(23)21-19-20-16(11-26-19)13-5-3-2-4-6-13/h2-12,22H,1H3,(H,20,21,23)
InChIKeyAKYYEHVUNUTCLI-UHFFFAOYSA-N
MW368.41 g/mol
LogP3.70
Rot. Bonds5

About [1-oxo-1-[(4-phenyl-1,3-thiazol-2-yl)amino]propan-2-yl] 4-hydroxybenzoate

[1-oxo-1-[(4-phenyl-1,3-thiazol-2-yl)amino]propan-2-yl] 4-hydroxybenzoate (PubChem CID 4879957) has the molecular formula C19H16N2O4S and a molecular weight of 368.41 g/mol. Its IUPAC name is [1-oxo-1-[(4-phenyl-1,3-thiazol-2-yl)amino]propan-2-yl] 4-hydroxybenzoate.

Molecular Properties

Compound Name[1-oxo-1-[(4-phenyl-1,3-thiazol-2-yl)amino]propan-2-yl] 4-hydroxybenzoate
PubChem CID4879957
Molecular FormulaC19H16N2O4S
Molecular Weight368.41 g/mol
Exact Mass368.08
IUPAC Name[1-oxo-1-[(4-phenyl-1,3-thiazol-2-yl)amino]propan-2-yl] 4-hydroxybenzoate
SMILESCC(OC(=O)c1ccc(O)cc1)C(=O)Nc1nc(-c2ccccc2)cs1
InChIInChI=1S/C19H16N2O4S/c1-12(25-18(24)14-7-9-15(22)10-8-14)17(23)21-19-20-16(11-26-19)13-5-3-2-4-6-13/h2-12,22H,1H3,(H,20,21,23)
InChIKeyAKYYEHVUNUTCLI-UHFFFAOYSA-N
XLogP3.70
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.41
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [1-oxo-1-[(4-phenyl-1,3-thiazol-2-yl)amino]propan-2-yl] 4-hydroxybenzoate?
The IUPAC name of [1-oxo-1-[(4-phenyl-1,3-thiazol-2-yl)amino]propan-2-yl] 4-hydroxybenzoate (CID 4879957) is [1-oxo-1-[(4-phenyl-1,3-thiazol-2-yl)amino]propan-2-yl] 4-hydroxybenzoate.
What is the SMILES notation for [1-oxo-1-[(4-phenyl-1,3-thiazol-2-yl)amino]propan-2-yl] 4-hydroxybenzoate?
The canonical SMILES for [1-oxo-1-[(4-phenyl-1,3-thiazol-2-yl)amino]propan-2-yl] 4-hydroxybenzoate is CC(OC(=O)c1ccc(O)cc1)C(=O)Nc1nc(-c2ccccc2)cs1.
What is the InChIKey of [1-oxo-1-[(4-phenyl-1,3-thiazol-2-yl)amino]propan-2-yl] 4-hydroxybenzoate?
The InChIKey is AKYYEHVUNUTCLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O4S/c1-12(25-18(24)14-7-9-15(22)10-8-14)17(23)21-19-20-16(11-26-19)13-5-3-2-4-6-13/h2-12,22H,1H3,(H,20,21,23).
What are the key properties of [1-oxo-1-[(4-phenyl-1,3-thiazol-2-yl)amino]propan-2-yl] 4-hydroxybenzoate?
[1-oxo-1-[(4-phenyl-1,3-thiazol-2-yl)amino]propan-2-yl] 4-hydroxybenzoate has a molecular weight of 368.41 g/mol, XLogP of 3.70, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-oxo-1-[(4-phenyl-1,3-thiazol-2-yl)amino]propan-2-yl] 4-hydroxybenzoate is sourced from PubChem (CID 4879957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).