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

C16H17FN2O4S — CID 86680112

IUPAC2-(2-fluoro-5-methylphenyl)-5-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazole-4-carboxylic acid
SMILESCc1ccc(F)c(-c2nc(C(=O)O)c(NC(=O)OC(C)(C)C)s2)c1
InChIInChI=1S/C16H17FN2O4S/c1-8-5-6-10(17)9(7-8)12-18-11(14(20)21)13(24-12)19-15(22)23-16(2,3)4/h5-7H,1-4H3,(H,19,22)(H,20,21)
InChIKeyIVOSUIZFCRGOGQ-UHFFFAOYSA-N
MW352.39 g/mol
LogP4.30
Rot. Bonds3

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

2-(2-fluoro-5-methylphenyl)-5-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazole-4-carboxylic acid (PubChem CID 86680112) has the molecular formula C16H17FN2O4S and a molecular weight of 352.39 g/mol. Its IUPAC name is 2-(2-fluoro-5-methylphenyl)-5-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name2-(2-fluoro-5-methylphenyl)-5-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazole-4-carboxylic acid
PubChem CID86680112
Molecular FormulaC16H17FN2O4S
Molecular Weight352.39 g/mol
Exact Mass352.09
IUPAC Name2-(2-fluoro-5-methylphenyl)-5-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazole-4-carboxylic acid
SMILESCc1ccc(F)c(-c2nc(C(=O)O)c(NC(=O)OC(C)(C)C)s2)c1
InChIInChI=1S/C16H17FN2O4S/c1-8-5-6-10(17)9(7-8)12-18-11(14(20)21)13(24-12)19-15(22)23-16(2,3)4/h5-7H,1-4H3,(H,19,22)(H,20,21)
InChIKeyIVOSUIZFCRGOGQ-UHFFFAOYSA-N
XLogP4.30
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 54.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-(2-fluoro-5-methylphenyl)-5-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazole-4-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoro-5-methylphenyl)-5-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 2-(2-fluoro-5-methylphenyl)-5-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazole-4-carboxylic acid (CID 86680112) is 2-(2-fluoro-5-methylphenyl)-5-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 2-(2-fluoro-5-methylphenyl)-5-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 2-(2-fluoro-5-methylphenyl)-5-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazole-4-carboxylic acid is Cc1ccc(F)c(-c2nc(C(=O)O)c(NC(=O)OC(C)(C)C)s2)c1.
What is the InChIKey of 2-(2-fluoro-5-methylphenyl)-5-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazole-4-carboxylic acid?
The InChIKey is IVOSUIZFCRGOGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2O4S/c1-8-5-6-10(17)9(7-8)12-18-11(14(20)21)13(24-12)19-15(22)23-16(2,3)4/h5-7H,1-4H3,(H,19,22)(H,20,21).
What are the key properties of 2-(2-fluoro-5-methylphenyl)-5-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazole-4-carboxylic acid?
2-(2-fluoro-5-methylphenyl)-5-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazole-4-carboxylic acid has a molecular weight of 352.39 g/mol, XLogP of 4.30, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoro-5-methylphenyl)-5-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 86680112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).