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

C25H21N3O4S — CID 4272348

IUPAC[1-oxo-1-[(4-phenyl-1,3-thiazol-2-yl)amino]propan-2-yl] 2-(naphthalene-2-carbonylamino)acetate
SMILESCC(OC(=O)CNC(=O)c1ccc2ccccc2c1)C(=O)Nc1nc(-c2ccccc2)cs1
InChIInChI=1S/C25H21N3O4S/c1-16(23(30)28-25-27-21(15-33-25)18-8-3-2-4-9-18)32-22(29)14-26-24(31)20-12-11-17-7-5-6-10-19(17)13-20/h2-13,15-16H,14H2,1H3,(H,26,31)(H,27,28,30)
InChIKeyMIBVPQPQHSZTSB-UHFFFAOYSA-N
MW459.53 g/mol
LogP4.26
Rot. Bonds7

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

[1-oxo-1-[(4-phenyl-1,3-thiazol-2-yl)amino]propan-2-yl] 2-(naphthalene-2-carbonylamino)acetate (PubChem CID 4272348) has the molecular formula C25H21N3O4S and a molecular weight of 459.53 g/mol. Its IUPAC name is [1-oxo-1-[(4-phenyl-1,3-thiazol-2-yl)amino]propan-2-yl] 2-(naphthalene-2-carbonylamino)acetate.

Molecular Properties

Compound Name[1-oxo-1-[(4-phenyl-1,3-thiazol-2-yl)amino]propan-2-yl] 2-(naphthalene-2-carbonylamino)acetate
PubChem CID4272348
Molecular FormulaC25H21N3O4S
Molecular Weight459.53 g/mol
Exact Mass459.13
IUPAC Name[1-oxo-1-[(4-phenyl-1,3-thiazol-2-yl)amino]propan-2-yl] 2-(naphthalene-2-carbonylamino)acetate
SMILESCC(OC(=O)CNC(=O)c1ccc2ccccc2c1)C(=O)Nc1nc(-c2ccccc2)cs1
InChIInChI=1S/C25H21N3O4S/c1-16(23(30)28-25-27-21(15-33-25)18-8-3-2-4-9-18)32-22(29)14-26-24(31)20-12-11-17-7-5-6-10-19(17)13-20/h2-13,15-16H,14H2,1H3,(H,26,31)(H,27,28,30)
InChIKeyMIBVPQPQHSZTSB-UHFFFAOYSA-N
XLogP4.26
TPSA97.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.53
LogP ≤ 54.26
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] 2-(naphthalene-2-carbonylamino)acetate?
The IUPAC name of [1-oxo-1-[(4-phenyl-1,3-thiazol-2-yl)amino]propan-2-yl] 2-(naphthalene-2-carbonylamino)acetate (CID 4272348) is [1-oxo-1-[(4-phenyl-1,3-thiazol-2-yl)amino]propan-2-yl] 2-(naphthalene-2-carbonylamino)acetate.
What is the SMILES notation for [1-oxo-1-[(4-phenyl-1,3-thiazol-2-yl)amino]propan-2-yl] 2-(naphthalene-2-carbonylamino)acetate?
The canonical SMILES for [1-oxo-1-[(4-phenyl-1,3-thiazol-2-yl)amino]propan-2-yl] 2-(naphthalene-2-carbonylamino)acetate is CC(OC(=O)CNC(=O)c1ccc2ccccc2c1)C(=O)Nc1nc(-c2ccccc2)cs1.
What is the InChIKey of [1-oxo-1-[(4-phenyl-1,3-thiazol-2-yl)amino]propan-2-yl] 2-(naphthalene-2-carbonylamino)acetate?
The InChIKey is MIBVPQPQHSZTSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21N3O4S/c1-16(23(30)28-25-27-21(15-33-25)18-8-3-2-4-9-18)32-22(29)14-26-24(31)20-12-11-17-7-5-6-10-19(17)13-20/h2-13,15-16H,14H2,1H3,(H,26,31)(H,27,28,30).
What are the key properties of [1-oxo-1-[(4-phenyl-1,3-thiazol-2-yl)amino]propan-2-yl] 2-(naphthalene-2-carbonylamino)acetate?
[1-oxo-1-[(4-phenyl-1,3-thiazol-2-yl)amino]propan-2-yl] 2-(naphthalene-2-carbonylamino)acetate has a molecular weight of 459.53 g/mol, XLogP of 4.26, 7 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] 2-(naphthalene-2-carbonylamino)acetate is sourced from PubChem (CID 4272348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).