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

C17H15N3O2S — CID 23067400

IUPAC2-amino-N-(4-methyl-1,3-thiazol-2-yl)-5-phenoxybenzamide
SMILESCc1csc(NC(=O)c2cc(Oc3ccccc3)ccc2N)n1
InChIInChI=1S/C17H15N3O2S/c1-11-10-23-17(19-11)20-16(21)14-9-13(7-8-15(14)18)22-12-5-3-2-4-6-12/h2-10H,18H2,1H3,(H,19,20,21)
InChIKeyYOUJKSRBHSZORZ-UHFFFAOYSA-N
MW325.39 g/mol
LogP4.08
Rot. Bonds4

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

2-amino-N-(4-methyl-1,3-thiazol-2-yl)-5-phenoxybenzamide (PubChem CID 23067400) has the molecular formula C17H15N3O2S and a molecular weight of 325.39 g/mol. Its IUPAC name is 2-amino-N-(4-methyl-1,3-thiazol-2-yl)-5-phenoxybenzamide.

Molecular Properties

Compound Name2-amino-N-(4-methyl-1,3-thiazol-2-yl)-5-phenoxybenzamide
PubChem CID23067400
Molecular FormulaC17H15N3O2S
Molecular Weight325.39 g/mol
Exact Mass325.09
IUPAC Name2-amino-N-(4-methyl-1,3-thiazol-2-yl)-5-phenoxybenzamide
SMILESCc1csc(NC(=O)c2cc(Oc3ccccc3)ccc2N)n1
InChIInChI=1S/C17H15N3O2S/c1-11-10-23-17(19-11)20-16(21)14-9-13(7-8-15(14)18)22-12-5-3-2-4-6-12/h2-10H,18H2,1H3,(H,19,20,21)
InChIKeyYOUJKSRBHSZORZ-UHFFFAOYSA-N
XLogP4.08
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.39
LogP ≤ 54.08
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-N-(4-methyl-1,3-thiazol-2-yl)-5-phenoxybenzamide?
The IUPAC name of 2-amino-N-(4-methyl-1,3-thiazol-2-yl)-5-phenoxybenzamide (CID 23067400) is 2-amino-N-(4-methyl-1,3-thiazol-2-yl)-5-phenoxybenzamide.
What is the SMILES notation for 2-amino-N-(4-methyl-1,3-thiazol-2-yl)-5-phenoxybenzamide?
The canonical SMILES for 2-amino-N-(4-methyl-1,3-thiazol-2-yl)-5-phenoxybenzamide is Cc1csc(NC(=O)c2cc(Oc3ccccc3)ccc2N)n1.
What is the InChIKey of 2-amino-N-(4-methyl-1,3-thiazol-2-yl)-5-phenoxybenzamide?
The InChIKey is YOUJKSRBHSZORZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O2S/c1-11-10-23-17(19-11)20-16(21)14-9-13(7-8-15(14)18)22-12-5-3-2-4-6-12/h2-10H,18H2,1H3,(H,19,20,21).
What are the key properties of 2-amino-N-(4-methyl-1,3-thiazol-2-yl)-5-phenoxybenzamide?
2-amino-N-(4-methyl-1,3-thiazol-2-yl)-5-phenoxybenzamide has a molecular weight of 325.39 g/mol, XLogP of 4.08, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(4-methyl-1,3-thiazol-2-yl)-5-phenoxybenzamide is sourced from PubChem (CID 23067400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).