3-amino-N-[5-(4-aminocyclohexyl)oxy-1,2-thiazol-4-yl]-6-(2,6-difluorophenyl)-5-(trifluoromethyl)pyridine-2-carboxamide;hydrochloride

C22H21ClF5N5O2S — CID 126744038

About 3-amino-N-[5-(4-aminocyclohexyl)oxy-1,2-thiazol-4-yl]-6-(2,6-difluorophenyl)-5-(trifluoromethyl)pyridine-2-carboxamide;hydrochloride

3-amino-N-[5-(4-aminocyclohexyl)oxy-1,2-thiazol-4-yl]-6-(2,6-difluorophenyl)-5-(trifluoromethyl)pyridine-2-carboxamide;hydrochloride (PubChem CID 126744038) has the molecular formula C22H21ClF5N5O2S and a molecular weight of 549.95 g/mol. Its IUPAC name is 3-amino-N-[5-(4-aminocyclohexyl)oxy-1,2-thiazol-4-yl]-6-(2,6-difluorophenyl)-5-(trifluoromethyl)pyridine-2-carboxamide;hydrochloride.

Molecular Properties

• Compound Name: 3-amino-N-[5-(4-aminocyclohexyl)oxy-1,2-thiazol-4-yl]-6-(2,6-difluorophenyl)-5-(trifluoromethyl)pyridine-2-carboxamide;hydrochloride
• PubChem CID: 126744038
• Molecular Formula: C22H21ClF5N5O2S
• Molecular Weight: 549.95 g/mol
• Exact Mass: 549.10
• IUPAC Name: 3-amino-N-[5-(4-aminocyclohexyl)oxy-1,2-thiazol-4-yl]-6-(2,6-difluorophenyl)-5-(trifluoromethyl)pyridine-2-carboxamide;hydrochloride
• SMILES: Cl.Nc1cc(C(F)(F)F)c(-c2c(F)cccc2F)nc1C(=O)Nc1cnsc1OC1CCC(N)CC1
• InChI: InChI=1S/C22H20F5N5O2S.ClH/c23-13-2-1-3-14(24)17(13)18-12(22(25,26)27)8-15(29)19(32-18)20(33)31-16-9-30-35-21(16)34-11-6-4-10(28)5-7-11;/h1-3,8-11H,4-7,28-29H2,(H,31,33);1H
• InChIKey: WKXYDNIQSRICSK-UHFFFAOYSA-N
• XLogP: 5.41
• TPSA: 116.15 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	549.95
LogP ≤ 5	5.41
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[5-(4-aminocyclohexyl)oxy-1,2-thiazol-4-yl]-6-(2,6-difluorophenyl)-5-(trifluoromethyl)pyridine-2-carboxamide;hydrochloride?

The IUPAC name of 3-amino-N-[5-(4-aminocyclohexyl)oxy-1,2-thiazol-4-yl]-6-(2,6-difluorophenyl)-5-(trifluoromethyl)pyridine-2-carboxamide;hydrochloride (CID 126744038) is 3-amino-N-[5-(4-aminocyclohexyl)oxy-1,2-thiazol-4-yl]-6-(2,6-difluorophenyl)-5-(trifluoromethyl)pyridine-2-carboxamide;hydrochloride.

What is the SMILES notation for 3-amino-N-[5-(4-aminocyclohexyl)oxy-1,2-thiazol-4-yl]-6-(2,6-difluorophenyl)-5-(trifluoromethyl)pyridine-2-carboxamide;hydrochloride?

The canonical SMILES for 3-amino-N-[5-(4-aminocyclohexyl)oxy-1,2-thiazol-4-yl]-6-(2,6-difluorophenyl)-5-(trifluoromethyl)pyridine-2-carboxamide;hydrochloride is Cl.Nc1cc(C(F)(F)F)c(-c2c(F)cccc2F)nc1C(=O)Nc1cnsc1OC1CCC(N)CC1.

What is the InChIKey of 3-amino-N-[5-(4-aminocyclohexyl)oxy-1,2-thiazol-4-yl]-6-(2,6-difluorophenyl)-5-(trifluoromethyl)pyridine-2-carboxamide;hydrochloride?

The InChIKey is WKXYDNIQSRICSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20F5N5O2S.ClH/c23-13-2-1-3-14(24)17(13)18-12(22(25,26)27)8-15(29)19(32-18)20(33)31-16-9-30-35-21(16)34-11-6-4-10(28)5-7-11;/h1-3,8-11H,4-7,28-29H2,(H,31,33);1H.

What are the key properties of 3-amino-N-[5-(4-aminocyclohexyl)oxy-1,2-thiazol-4-yl]-6-(2,6-difluorophenyl)-5-(trifluoromethyl)pyridine-2-carboxamide;hydrochloride?

3-amino-N-[5-(4-aminocyclohexyl)oxy-1,2-thiazol-4-yl]-6-(2,6-difluorophenyl)-5-(trifluoromethyl)pyridine-2-carboxamide;hydrochloride has a molecular weight of 549.95 g/mol, XLogP of 5.41, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-amino-N-[5-(4-aminocyclohexyl)oxy-1,2-thiazol-4-yl]-6-(2,6-difluorophenyl)-5-(trifluoromethyl)pyridine-2-carboxamide;hydrochloride is sourced from PubChem (CID 126744038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).