5-amino-2-(5-bromo-2-fluorophenyl)-1,3-thiazole-4-carboxamide

C10H7BrFN3OS — CID 122508757

IUPAC5-amino-2-(5-bromo-2-fluorophenyl)-1,3-thiazole-4-carboxamide
SMILESNC(=O)c1nc(-c2cc(Br)ccc2F)sc1N
InChIInChI=1S/C10H7BrFN3OS/c11-4-1-2-6(12)5(3-4)10-15-7(8(13)16)9(14)17-10/h1-3H,14H2,(H2,13,16)
InChIKeyQTKVFUXQJCWPTK-UHFFFAOYSA-N
MW316.16 g/mol
LogP2.39
Rot. Bonds2

About 5-amino-2-(5-bromo-2-fluorophenyl)-1,3-thiazole-4-carboxamide

5-amino-2-(5-bromo-2-fluorophenyl)-1,3-thiazole-4-carboxamide (PubChem CID 122508757) has the molecular formula C10H7BrFN3OS and a molecular weight of 316.16 g/mol. Its IUPAC name is 5-amino-2-(5-bromo-2-fluorophenyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-2-(5-bromo-2-fluorophenyl)-1,3-thiazole-4-carboxamide
PubChem CID122508757
Molecular FormulaC10H7BrFN3OS
Molecular Weight316.16 g/mol
Exact Mass314.95
IUPAC Name5-amino-2-(5-bromo-2-fluorophenyl)-1,3-thiazole-4-carboxamide
SMILESNC(=O)c1nc(-c2cc(Br)ccc2F)sc1N
InChIInChI=1S/C10H7BrFN3OS/c11-4-1-2-6(12)5(3-4)10-15-7(8(13)16)9(14)17-10/h1-3H,14H2,(H2,13,16)
InChIKeyQTKVFUXQJCWPTK-UHFFFAOYSA-N
XLogP2.39
TPSA82.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.16
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-amino-2-(5-bromo-2-fluorophenyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 5-amino-2-(5-bromo-2-fluorophenyl)-1,3-thiazole-4-carboxamide (CID 122508757) is 5-amino-2-(5-bromo-2-fluorophenyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 5-amino-2-(5-bromo-2-fluorophenyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 5-amino-2-(5-bromo-2-fluorophenyl)-1,3-thiazole-4-carboxamide is NC(=O)c1nc(-c2cc(Br)ccc2F)sc1N.
What is the InChIKey of 5-amino-2-(5-bromo-2-fluorophenyl)-1,3-thiazole-4-carboxamide?
The InChIKey is QTKVFUXQJCWPTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7BrFN3OS/c11-4-1-2-6(12)5(3-4)10-15-7(8(13)16)9(14)17-10/h1-3H,14H2,(H2,13,16).
What are the key properties of 5-amino-2-(5-bromo-2-fluorophenyl)-1,3-thiazole-4-carboxamide?
5-amino-2-(5-bromo-2-fluorophenyl)-1,3-thiazole-4-carboxamide has a molecular weight of 316.16 g/mol, XLogP of 2.39, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-(5-bromo-2-fluorophenyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 122508757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).