4-amino-5-chloro-2-methoxy-N-methyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]benzamide;hydrochloride

C14H14Cl2F3N3O2S — CID 119813032

About 4-amino-5-chloro-2-methoxy-N-methyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]benzamide;hydrochloride

4-amino-5-chloro-2-methoxy-N-methyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]benzamide;hydrochloride (PubChem CID 119813032) has the molecular formula C14H14Cl2F3N3O2S and a molecular weight of 416.25 g/mol. Its IUPAC name is 4-amino-5-chloro-2-methoxy-N-methyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]benzamide;hydrochloride.

Molecular Properties

• Compound Name: 4-amino-5-chloro-2-methoxy-N-methyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]benzamide;hydrochloride
• PubChem CID: 119813032
• Molecular Formula: C14H14Cl2F3N3O2S
• Molecular Weight: 416.25 g/mol
• Exact Mass: 415.01
• IUPAC Name: 4-amino-5-chloro-2-methoxy-N-methyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]benzamide;hydrochloride
• SMILES: COc1cc(N)c(Cl)cc1C(=O)N(C)Cc1nc(C(F)(F)F)cs1.Cl
• InChI: InChI=1S/C14H13ClF3N3O2S.ClH/c1-21(5-12-20-11(6-24-12)14(16,17)18)13(22)7-3-8(15)9(19)4-10(7)23-2;/h3-4,6H,5,19H2,1-2H3;1H
• InChIKey: HWHKEXCTHKHHFZ-UHFFFAOYSA-N
• XLogP: 4.10
• TPSA: 68.45 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	416.25
LogP ≤ 5	4.10
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-chloro-2-methoxy-N-methyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]benzamide;hydrochloride?

The IUPAC name of 4-amino-5-chloro-2-methoxy-N-methyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]benzamide;hydrochloride (CID 119813032) is 4-amino-5-chloro-2-methoxy-N-methyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]benzamide;hydrochloride.

What is the SMILES notation for 4-amino-5-chloro-2-methoxy-N-methyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]benzamide;hydrochloride?

The canonical SMILES for 4-amino-5-chloro-2-methoxy-N-methyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]benzamide;hydrochloride is COc1cc(N)c(Cl)cc1C(=O)N(C)Cc1nc(C(F)(F)F)cs1.Cl.

What is the InChIKey of 4-amino-5-chloro-2-methoxy-N-methyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]benzamide;hydrochloride?

The InChIKey is HWHKEXCTHKHHFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClF3N3O2S.ClH/c1-21(5-12-20-11(6-24-12)14(16,17)18)13(22)7-3-8(15)9(19)4-10(7)23-2;/h3-4,6H,5,19H2,1-2H3;1H.

What are the key properties of 4-amino-5-chloro-2-methoxy-N-methyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]benzamide;hydrochloride?

4-amino-5-chloro-2-methoxy-N-methyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]benzamide;hydrochloride has a molecular weight of 416.25 g/mol, XLogP of 4.10, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 4-amino-5-chloro-2-methoxy-N-methyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]benzamide;hydrochloride is sourced from PubChem (CID 119813032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).