2-(2-fluorophenyl)-5-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazole-4-carboxylic acid

C15H15FN2O4S — CID 67436713

IUPAC2-(2-fluorophenyl)-5-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazole-4-carboxylic acid
SMILESCC(C)(C)OC(=O)Nc1sc(-c2ccccc2F)nc1C(=O)O
InChIInChI=1S/C15H15FN2O4S/c1-15(2,3)22-14(21)18-12-10(13(19)20)17-11(23-12)8-6-4-5-7-9(8)16/h4-7H,1-3H3,(H,18,21)(H,19,20)
InChIKeyOZKZIDYVQQPLIU-UHFFFAOYSA-N
MW338.36 g/mol
LogP3.99
Rot. Bonds3

About 2-(2-fluorophenyl)-5-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazole-4-carboxylic acid

2-(2-fluorophenyl)-5-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazole-4-carboxylic acid (PubChem CID 67436713) has the molecular formula C15H15FN2O4S and a molecular weight of 338.36 g/mol. Its IUPAC name is 2-(2-fluorophenyl)-5-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name2-(2-fluorophenyl)-5-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazole-4-carboxylic acid
PubChem CID67436713
Molecular FormulaC15H15FN2O4S
Molecular Weight338.36 g/mol
Exact Mass338.07
IUPAC Name2-(2-fluorophenyl)-5-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazole-4-carboxylic acid
SMILESCC(C)(C)OC(=O)Nc1sc(-c2ccccc2F)nc1C(=O)O
InChIInChI=1S/C15H15FN2O4S/c1-15(2,3)22-14(21)18-12-10(13(19)20)17-11(23-12)8-6-4-5-7-9(8)16/h4-7H,1-3H3,(H,18,21)(H,19,20)
InChIKeyOZKZIDYVQQPLIU-UHFFFAOYSA-N
XLogP3.99
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.36
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)-5-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 2-(2-fluorophenyl)-5-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazole-4-carboxylic acid (CID 67436713) is 2-(2-fluorophenyl)-5-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 2-(2-fluorophenyl)-5-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 2-(2-fluorophenyl)-5-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazole-4-carboxylic acid is CC(C)(C)OC(=O)Nc1sc(-c2ccccc2F)nc1C(=O)O.
What is the InChIKey of 2-(2-fluorophenyl)-5-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazole-4-carboxylic acid?
The InChIKey is OZKZIDYVQQPLIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN2O4S/c1-15(2,3)22-14(21)18-12-10(13(19)20)17-11(23-12)8-6-4-5-7-9(8)16/h4-7H,1-3H3,(H,18,21)(H,19,20).
What are the key properties of 2-(2-fluorophenyl)-5-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazole-4-carboxylic acid?
2-(2-fluorophenyl)-5-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazole-4-carboxylic acid has a molecular weight of 338.36 g/mol, XLogP of 3.99, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)-5-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 67436713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).