2-[5-(3-fluorophenyl)sulfonyl-4-(2-fluoro-3-pyridinyl)-1,3-thiazol-2-yl]ethylcarbamic acid

C17H13F2N3O4S2 — CID 68923313

IUPAC2-[5-(3-fluorophenyl)sulfonyl-4-(2-fluoro-3-pyridinyl)-1,3-thiazol-2-yl]ethylcarbamic acid
SMILESO=C(O)NCCc1nc(-c2cccnc2F)c(S(=O)(=O)c2cccc(F)c2)s1
InChIInChI=1S/C17H13F2N3O4S2/c18-10-3-1-4-11(9-10)28(25,26)16-14(12-5-2-7-20-15(12)19)22-13(27-16)6-8-21-17(23)24/h1-5,7,9,21H,6,8H2,(H,23,24)
InChIKeyZIJQFSFLPWULPU-UHFFFAOYSA-N
MW425.44 g/mol
LogP3.13
Rot. Bonds6

About 2-[5-(3-fluorophenyl)sulfonyl-4-(2-fluoro-3-pyridinyl)-1,3-thiazol-2-yl]ethylcarbamic acid

2-[5-(3-fluorophenyl)sulfonyl-4-(2-fluoro-3-pyridinyl)-1,3-thiazol-2-yl]ethylcarbamic acid (PubChem CID 68923313) has the molecular formula C17H13F2N3O4S2 and a molecular weight of 425.44 g/mol. Its IUPAC name is 2-[5-(3-fluorophenyl)sulfonyl-4-(2-fluoro-3-pyridinyl)-1,3-thiazol-2-yl]ethylcarbamic acid.

Molecular Properties

Compound Name2-[5-(3-fluorophenyl)sulfonyl-4-(2-fluoro-3-pyridinyl)-1,3-thiazol-2-yl]ethylcarbamic acid
PubChem CID68923313
Molecular FormulaC17H13F2N3O4S2
Molecular Weight425.44 g/mol
Exact Mass425.03
IUPAC Name2-[5-(3-fluorophenyl)sulfonyl-4-(2-fluoro-3-pyridinyl)-1,3-thiazol-2-yl]ethylcarbamic acid
SMILESO=C(O)NCCc1nc(-c2cccnc2F)c(S(=O)(=O)c2cccc(F)c2)s1
InChIInChI=1S/C17H13F2N3O4S2/c18-10-3-1-4-11(9-10)28(25,26)16-14(12-5-2-7-20-15(12)19)22-13(27-16)6-8-21-17(23)24/h1-5,7,9,21H,6,8H2,(H,23,24)
InChIKeyZIJQFSFLPWULPU-UHFFFAOYSA-N
XLogP3.13
TPSA109.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.44
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 2-[5-(3-fluorophenyl)sulfonyl-4-(2-fluoro-3-pyridinyl)-1,3-thiazol-2-yl]ethylcarbamic 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-[5-(3-fluorophenyl)sulfonyl-4-(2-fluoro-3-pyridinyl)-1,3-thiazol-2-yl]ethylcarbamic acid?
The IUPAC name of 2-[5-(3-fluorophenyl)sulfonyl-4-(2-fluoro-3-pyridinyl)-1,3-thiazol-2-yl]ethylcarbamic acid (CID 68923313) is 2-[5-(3-fluorophenyl)sulfonyl-4-(2-fluoro-3-pyridinyl)-1,3-thiazol-2-yl]ethylcarbamic acid.
What is the SMILES notation for 2-[5-(3-fluorophenyl)sulfonyl-4-(2-fluoro-3-pyridinyl)-1,3-thiazol-2-yl]ethylcarbamic acid?
The canonical SMILES for 2-[5-(3-fluorophenyl)sulfonyl-4-(2-fluoro-3-pyridinyl)-1,3-thiazol-2-yl]ethylcarbamic acid is O=C(O)NCCc1nc(-c2cccnc2F)c(S(=O)(=O)c2cccc(F)c2)s1.
What is the InChIKey of 2-[5-(3-fluorophenyl)sulfonyl-4-(2-fluoro-3-pyridinyl)-1,3-thiazol-2-yl]ethylcarbamic acid?
The InChIKey is ZIJQFSFLPWULPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F2N3O4S2/c18-10-3-1-4-11(9-10)28(25,26)16-14(12-5-2-7-20-15(12)19)22-13(27-16)6-8-21-17(23)24/h1-5,7,9,21H,6,8H2,(H,23,24).
What are the key properties of 2-[5-(3-fluorophenyl)sulfonyl-4-(2-fluoro-3-pyridinyl)-1,3-thiazol-2-yl]ethylcarbamic acid?
2-[5-(3-fluorophenyl)sulfonyl-4-(2-fluoro-3-pyridinyl)-1,3-thiazol-2-yl]ethylcarbamic acid has a molecular weight of 425.44 g/mol, XLogP of 3.13, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(3-fluorophenyl)sulfonyl-4-(2-fluoro-3-pyridinyl)-1,3-thiazol-2-yl]ethylcarbamic acid is sourced from PubChem (CID 68923313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).