2-[[6-[1-amino-1-pyridin-2-ylsulfonyl-2-[4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]phenyl]ethyl]-2-pyridinyl]amino]acetic acid

C24H20F3N5O4S2 — CID 66717234

About 2-[[6-[1-amino-1-pyridin-2-ylsulfonyl-2-[4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]phenyl]ethyl]-2-pyridinyl]amino]acetic acid

2-[[6-[1-amino-1-pyridin-2-ylsulfonyl-2-[4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]phenyl]ethyl]-2-pyridinyl]amino]acetic acid (PubChem CID 66717234) has the molecular formula C24H20F3N5O4S2 and a molecular weight of 563.58 g/mol. Its IUPAC name is 2-[[6-[1-amino-1-pyridin-2-ylsulfonyl-2-[4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]phenyl]ethyl]-2-pyridinyl]amino]acetic acid.

Molecular Properties

• Compound Name: 2-[[6-[1-amino-1-pyridin-2-ylsulfonyl-2-[4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]phenyl]ethyl]-2-pyridinyl]amino]acetic acid
• PubChem CID: 66717234
• Molecular Formula: C24H20F3N5O4S2
• Molecular Weight: 563.58 g/mol
• Exact Mass: 563.09
• IUPAC Name: 2-[[6-[1-amino-1-pyridin-2-ylsulfonyl-2-[4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]phenyl]ethyl]-2-pyridinyl]amino]acetic acid
• SMILES: NC(Cc1ccc(-c2nc(C(F)(F)F)cs2)cc1)(c1cccc(NCC(=O)O)n1)S(=O)(=O)c1ccccn1
• InChI: InChI=1S/C24H20F3N5O4S2/c25-24(26,27)18-14-37-22(32-18)16-9-7-15(8-10-16)12-23(28,38(35,36)20-6-1-2-11-29-20)17-4-3-5-19(31-17)30-13-21(33)34/h1-11,14H,12-13,28H2,(H,30,31)(H,33,34)
• InChIKey: FHMNUHBJQOIPHY-UHFFFAOYSA-N
• XLogP: 3.94
• TPSA: 148.16 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 9
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	563.58
LogP ≤ 5	3.94
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 2-[[6-[1-amino-1-pyridin-2-ylsulfonyl-2-[4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]phenyl]ethyl]-2-pyridinyl]amino]acetic acid?

The IUPAC name of 2-[[6-[1-amino-1-pyridin-2-ylsulfonyl-2-[4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]phenyl]ethyl]-2-pyridinyl]amino]acetic acid (CID 66717234) is 2-[[6-[1-amino-1-pyridin-2-ylsulfonyl-2-[4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]phenyl]ethyl]-2-pyridinyl]amino]acetic acid.

What is the SMILES notation for 2-[[6-[1-amino-1-pyridin-2-ylsulfonyl-2-[4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]phenyl]ethyl]-2-pyridinyl]amino]acetic acid?

The canonical SMILES for 2-[[6-[1-amino-1-pyridin-2-ylsulfonyl-2-[4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]phenyl]ethyl]-2-pyridinyl]amino]acetic acid is NC(Cc1ccc(-c2nc(C(F)(F)F)cs2)cc1)(c1cccc(NCC(=O)O)n1)S(=O)(=O)c1ccccn1.

What is the InChIKey of 2-[[6-[1-amino-1-pyridin-2-ylsulfonyl-2-[4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]phenyl]ethyl]-2-pyridinyl]amino]acetic acid?

The InChIKey is FHMNUHBJQOIPHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20F3N5O4S2/c25-24(26,27)18-14-37-22(32-18)16-9-7-15(8-10-16)12-23(28,38(35,36)20-6-1-2-11-29-20)17-4-3-5-19(31-17)30-13-21(33)34/h1-11,14H,12-13,28H2,(H,30,31)(H,33,34).

What are the key properties of 2-[[6-[1-amino-1-pyridin-2-ylsulfonyl-2-[4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]phenyl]ethyl]-2-pyridinyl]amino]acetic acid?

2-[[6-[1-amino-1-pyridin-2-ylsulfonyl-2-[4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]phenyl]ethyl]-2-pyridinyl]amino]acetic acid has a molecular weight of 563.58 g/mol, XLogP of 3.94, 9 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[6-[1-amino-1-pyridin-2-ylsulfonyl-2-[4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]phenyl]ethyl]-2-pyridinyl]amino]acetic acid is sourced from PubChem (CID 66717234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).