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

C15H14F2N2O4S — CID 58182202

IUPAC2-(2,4-difluorophenyl)-5-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazole-4-carboxylic acid
SMILESCC(C)(C)OC(=O)Nc1sc(-c2ccc(F)cc2F)nc1C(=O)O
InChIInChI=1S/C15H14F2N2O4S/c1-15(2,3)23-14(22)19-12-10(13(20)21)18-11(24-12)8-5-4-7(16)6-9(8)17/h4-6H,1-3H3,(H,19,22)(H,20,21)
InChIKeyHOUVUWAIQNQWKI-UHFFFAOYSA-N
MW356.35 g/mol
LogP4.13
Rot. Bonds3

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

2-(2,4-difluorophenyl)-5-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazole-4-carboxylic acid (PubChem CID 58182202) has the molecular formula C15H14F2N2O4S and a molecular weight of 356.35 g/mol. Its IUPAC name is 2-(2,4-difluorophenyl)-5-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name2-(2,4-difluorophenyl)-5-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazole-4-carboxylic acid
PubChem CID58182202
Molecular FormulaC15H14F2N2O4S
Molecular Weight356.35 g/mol
Exact Mass356.06
IUPAC Name2-(2,4-difluorophenyl)-5-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazole-4-carboxylic acid
SMILESCC(C)(C)OC(=O)Nc1sc(-c2ccc(F)cc2F)nc1C(=O)O
InChIInChI=1S/C15H14F2N2O4S/c1-15(2,3)23-14(22)19-12-10(13(20)21)18-11(24-12)8-5-4-7(16)6-9(8)17/h4-6H,1-3H3,(H,19,22)(H,20,21)
InChIKeyHOUVUWAIQNQWKI-UHFFFAOYSA-N
XLogP4.13
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.35
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-difluorophenyl)-5-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 2-(2,4-difluorophenyl)-5-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazole-4-carboxylic acid (CID 58182202) is 2-(2,4-difluorophenyl)-5-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 2-(2,4-difluorophenyl)-5-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 2-(2,4-difluorophenyl)-5-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazole-4-carboxylic acid is CC(C)(C)OC(=O)Nc1sc(-c2ccc(F)cc2F)nc1C(=O)O.
What is the InChIKey of 2-(2,4-difluorophenyl)-5-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazole-4-carboxylic acid?
The InChIKey is HOUVUWAIQNQWKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F2N2O4S/c1-15(2,3)23-14(22)19-12-10(13(20)21)18-11(24-12)8-5-4-7(16)6-9(8)17/h4-6H,1-3H3,(H,19,22)(H,20,21).
What are the key properties of 2-(2,4-difluorophenyl)-5-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazole-4-carboxylic acid?
2-(2,4-difluorophenyl)-5-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazole-4-carboxylic acid has a molecular weight of 356.35 g/mol, XLogP of 4.13, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-difluorophenyl)-5-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 58182202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).