2-amino-5-(4-fluorophenoxy)-N-(4-methyl-1,3-thiazol-2-yl)benzamide

C17H14FN3O2S — CID 23067440

IUPAC2-amino-5-(4-fluorophenoxy)-N-(4-methyl-1,3-thiazol-2-yl)benzamide
SMILESCc1csc(NC(=O)c2cc(Oc3ccc(F)cc3)ccc2N)n1
InChIInChI=1S/C17H14FN3O2S/c1-10-9-24-17(20-10)21-16(22)14-8-13(6-7-15(14)19)23-12-4-2-11(18)3-5-12/h2-9H,19H2,1H3,(H,20,21,22)
InChIKeySUPIDUIYHNMEGY-UHFFFAOYSA-N
MW343.38 g/mol
LogP4.22
Rot. Bonds4

About 2-amino-5-(4-fluorophenoxy)-N-(4-methyl-1,3-thiazol-2-yl)benzamide

2-amino-5-(4-fluorophenoxy)-N-(4-methyl-1,3-thiazol-2-yl)benzamide (PubChem CID 23067440) has the molecular formula C17H14FN3O2S and a molecular weight of 343.38 g/mol. Its IUPAC name is 2-amino-5-(4-fluorophenoxy)-N-(4-methyl-1,3-thiazol-2-yl)benzamide.

Molecular Properties

Compound Name2-amino-5-(4-fluorophenoxy)-N-(4-methyl-1,3-thiazol-2-yl)benzamide
PubChem CID23067440
Molecular FormulaC17H14FN3O2S
Molecular Weight343.38 g/mol
Exact Mass343.08
IUPAC Name2-amino-5-(4-fluorophenoxy)-N-(4-methyl-1,3-thiazol-2-yl)benzamide
SMILESCc1csc(NC(=O)c2cc(Oc3ccc(F)cc3)ccc2N)n1
InChIInChI=1S/C17H14FN3O2S/c1-10-9-24-17(20-10)21-16(22)14-8-13(6-7-15(14)19)23-12-4-2-11(18)3-5-12/h2-9H,19H2,1H3,(H,20,21,22)
InChIKeySUPIDUIYHNMEGY-UHFFFAOYSA-N
XLogP4.22
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.38
LogP ≤ 54.22
H-Bond Donors ≤ 52
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-5-(4-fluorophenoxy)-N-(4-methyl-1,3-thiazol-2-yl)benzamide?
The IUPAC name of 2-amino-5-(4-fluorophenoxy)-N-(4-methyl-1,3-thiazol-2-yl)benzamide (CID 23067440) is 2-amino-5-(4-fluorophenoxy)-N-(4-methyl-1,3-thiazol-2-yl)benzamide.
What is the SMILES notation for 2-amino-5-(4-fluorophenoxy)-N-(4-methyl-1,3-thiazol-2-yl)benzamide?
The canonical SMILES for 2-amino-5-(4-fluorophenoxy)-N-(4-methyl-1,3-thiazol-2-yl)benzamide is Cc1csc(NC(=O)c2cc(Oc3ccc(F)cc3)ccc2N)n1.
What is the InChIKey of 2-amino-5-(4-fluorophenoxy)-N-(4-methyl-1,3-thiazol-2-yl)benzamide?
The InChIKey is SUPIDUIYHNMEGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FN3O2S/c1-10-9-24-17(20-10)21-16(22)14-8-13(6-7-15(14)19)23-12-4-2-11(18)3-5-12/h2-9H,19H2,1H3,(H,20,21,22).
What are the key properties of 2-amino-5-(4-fluorophenoxy)-N-(4-methyl-1,3-thiazol-2-yl)benzamide?
2-amino-5-(4-fluorophenoxy)-N-(4-methyl-1,3-thiazol-2-yl)benzamide has a molecular weight of 343.38 g/mol, XLogP of 4.22, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-(4-fluorophenoxy)-N-(4-methyl-1,3-thiazol-2-yl)benzamide is sourced from PubChem (CID 23067440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).