2-amino-4-fluoro-5-(1,3-thiazol-4-ylmethylamino)benzamide

C11H11FN4OS — CID 63825433

IUPAC2-amino-4-fluoro-5-(1,3-thiazol-4-ylmethylamino)benzamide
SMILESNC(=O)c1cc(NCc2cscn2)c(F)cc1N
InChIInChI=1S/C11H11FN4OS/c12-8-2-9(13)7(11(14)17)1-10(8)15-3-6-4-18-5-16-6/h1-2,4-5,15H,3,13H2,(H2,14,17)
InChIKeyRWXHZRQTFKRKNZ-UHFFFAOYSA-N
MW266.30 g/mol
LogP1.58
Rot. Bonds4

About 2-amino-4-fluoro-5-(1,3-thiazol-4-ylmethylamino)benzamide

2-amino-4-fluoro-5-(1,3-thiazol-4-ylmethylamino)benzamide (PubChem CID 63825433) has the molecular formula C11H11FN4OS and a molecular weight of 266.30 g/mol. Its IUPAC name is 2-amino-4-fluoro-5-(1,3-thiazol-4-ylmethylamino)benzamide.

Molecular Properties

Compound Name2-amino-4-fluoro-5-(1,3-thiazol-4-ylmethylamino)benzamide
PubChem CID63825433
Molecular FormulaC11H11FN4OS
Molecular Weight266.30 g/mol
Exact Mass266.06
IUPAC Name2-amino-4-fluoro-5-(1,3-thiazol-4-ylmethylamino)benzamide
SMILESNC(=O)c1cc(NCc2cscn2)c(F)cc1N
InChIInChI=1S/C11H11FN4OS/c12-8-2-9(13)7(11(14)17)1-10(8)15-3-6-4-18-5-16-6/h1-2,4-5,15H,3,13H2,(H2,14,17)
InChIKeyRWXHZRQTFKRKNZ-UHFFFAOYSA-N
XLogP1.58
TPSA94.03 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 51.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-fluoro-5-(1,3-thiazol-4-ylmethylamino)benzamide?
The IUPAC name of 2-amino-4-fluoro-5-(1,3-thiazol-4-ylmethylamino)benzamide (CID 63825433) is 2-amino-4-fluoro-5-(1,3-thiazol-4-ylmethylamino)benzamide.
What is the SMILES notation for 2-amino-4-fluoro-5-(1,3-thiazol-4-ylmethylamino)benzamide?
The canonical SMILES for 2-amino-4-fluoro-5-(1,3-thiazol-4-ylmethylamino)benzamide is NC(=O)c1cc(NCc2cscn2)c(F)cc1N.
What is the InChIKey of 2-amino-4-fluoro-5-(1,3-thiazol-4-ylmethylamino)benzamide?
The InChIKey is RWXHZRQTFKRKNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FN4OS/c12-8-2-9(13)7(11(14)17)1-10(8)15-3-6-4-18-5-16-6/h1-2,4-5,15H,3,13H2,(H2,14,17).
What are the key properties of 2-amino-4-fluoro-5-(1,3-thiazol-4-ylmethylamino)benzamide?
2-amino-4-fluoro-5-(1,3-thiazol-4-ylmethylamino)benzamide has a molecular weight of 266.30 g/mol, XLogP of 1.58, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-fluoro-5-(1,3-thiazol-4-ylmethylamino)benzamide is sourced from PubChem (CID 63825433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).