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

C17H14N2O3S2 — CID 3298282

IUPAC[1-oxo-1-[(4-phenyl-1,3-thiazol-2-yl)amino]propan-2-yl] thiophene-2-carboxylate
SMILESCC(OC(=O)c1cccs1)C(=O)Nc1nc(-c2ccccc2)cs1
InChIInChI=1S/C17H14N2O3S2/c1-11(22-16(21)14-8-5-9-23-14)15(20)19-17-18-13(10-24-17)12-6-3-2-4-7-12/h2-11H,1H3,(H,18,19,20)
InChIKeyOZSFUQSKISBRDP-UHFFFAOYSA-N
MW358.44 g/mol
LogP4.06
Rot. Bonds5

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

[1-oxo-1-[(4-phenyl-1,3-thiazol-2-yl)amino]propan-2-yl] thiophene-2-carboxylate (PubChem CID 3298282) has the molecular formula C17H14N2O3S2 and a molecular weight of 358.44 g/mol. Its IUPAC name is [1-oxo-1-[(4-phenyl-1,3-thiazol-2-yl)amino]propan-2-yl] thiophene-2-carboxylate.

Molecular Properties

Compound Name[1-oxo-1-[(4-phenyl-1,3-thiazol-2-yl)amino]propan-2-yl] thiophene-2-carboxylate
PubChem CID3298282
Molecular FormulaC17H14N2O3S2
Molecular Weight358.44 g/mol
Exact Mass358.04
IUPAC Name[1-oxo-1-[(4-phenyl-1,3-thiazol-2-yl)amino]propan-2-yl] thiophene-2-carboxylate
SMILESCC(OC(=O)c1cccs1)C(=O)Nc1nc(-c2ccccc2)cs1
InChIInChI=1S/C17H14N2O3S2/c1-11(22-16(21)14-8-5-9-23-14)15(20)19-17-18-13(10-24-17)12-6-3-2-4-7-12/h2-11H,1H3,(H,18,19,20)
InChIKeyOZSFUQSKISBRDP-UHFFFAOYSA-N
XLogP4.06
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 54.06
H-Bond Donors ≤ 51
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] thiophene-2-carboxylate?
The IUPAC name of [1-oxo-1-[(4-phenyl-1,3-thiazol-2-yl)amino]propan-2-yl] thiophene-2-carboxylate (CID 3298282) is [1-oxo-1-[(4-phenyl-1,3-thiazol-2-yl)amino]propan-2-yl] thiophene-2-carboxylate.
What is the SMILES notation for [1-oxo-1-[(4-phenyl-1,3-thiazol-2-yl)amino]propan-2-yl] thiophene-2-carboxylate?
The canonical SMILES for [1-oxo-1-[(4-phenyl-1,3-thiazol-2-yl)amino]propan-2-yl] thiophene-2-carboxylate is CC(OC(=O)c1cccs1)C(=O)Nc1nc(-c2ccccc2)cs1.
What is the InChIKey of [1-oxo-1-[(4-phenyl-1,3-thiazol-2-yl)amino]propan-2-yl] thiophene-2-carboxylate?
The InChIKey is OZSFUQSKISBRDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O3S2/c1-11(22-16(21)14-8-5-9-23-14)15(20)19-17-18-13(10-24-17)12-6-3-2-4-7-12/h2-11H,1H3,(H,18,19,20).
What are the key properties of [1-oxo-1-[(4-phenyl-1,3-thiazol-2-yl)amino]propan-2-yl] thiophene-2-carboxylate?
[1-oxo-1-[(4-phenyl-1,3-thiazol-2-yl)amino]propan-2-yl] thiophene-2-carboxylate has a molecular weight of 358.44 g/mol, XLogP of 4.06, 5 rotatable bonds, 1 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] thiophene-2-carboxylate is sourced from PubChem (CID 3298282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).