4-(2-amino-4-pyridinyl)-N-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine;4-bromopyridin-2-amine;4-methyl-N-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine

C31H25BrF6N8S2 — CID 157177769

About 4-(2-amino-4-pyridinyl)-N-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine;4-bromopyridin-2-amine;4-methyl-N-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine

4-(2-amino-4-pyridinyl)-N-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine;4-bromopyridin-2-amine;4-methyl-N-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine (PubChem CID 157177769) has the molecular formula C31H25BrF6N8S2 and a molecular weight of 767.62 g/mol. Its IUPAC name is 4-(2-amino-4-pyridinyl)-N-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine;4-bromopyridin-2-amine;4-methyl-N-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine.

Molecular Properties

• Compound Name: 4-(2-amino-4-pyridinyl)-N-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine;4-bromopyridin-2-amine;4-methyl-N-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine
• PubChem CID: 157177769
• Molecular Formula: C31H25BrF6N8S2
• Molecular Weight: 767.62 g/mol
• Exact Mass: 766.07
• IUPAC Name: 4-(2-amino-4-pyridinyl)-N-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine;4-bromopyridin-2-amine;4-methyl-N-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine
• SMILES: Cc1csc(Nc2cccc(C(F)(F)F)c2)n1.Nc1cc(-c2csc(Nc3cccc(C(F)(F)F)c3)n2)ccn1.Nc1cc(Br)ccn1
• InChI: InChI=1S/C15H11F3N4S.C11H9F3N2S.C5H5BrN2/c16-15(17,18)10-2-1-3-11(7-10)21-14-22-12(8-23-14)9-4-5-20-13(19)6-9;1-7-6-17-10(15-7)16-9-4-2-3-8(5-9)11(12,13)14;6-4-1-2-8-5(7)3-4/h1-8H,(H2,19,20)(H,21,22);2-6H,1H3,(H,15,16);1-3H,(H2,7,8)
• InChIKey: AOFHCNXQDDQHDC-UHFFFAOYSA-N
• XLogP: 10.19
• TPSA: 127.66 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 10
• Rotatable Bonds: 5
• Heavy Atoms: 48
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	767.62
LogP ≤ 5	10.19
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 4-(2-amino-4-pyridinyl)-N-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine;4-bromopyridin-2-amine;4-methyl-N-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine?

The IUPAC name of 4-(2-amino-4-pyridinyl)-N-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine;4-bromopyridin-2-amine;4-methyl-N-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine (CID 157177769) is 4-(2-amino-4-pyridinyl)-N-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine;4-bromopyridin-2-amine;4-methyl-N-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine.

What is the SMILES notation for 4-(2-amino-4-pyridinyl)-N-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine;4-bromopyridin-2-amine;4-methyl-N-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine?

The canonical SMILES for 4-(2-amino-4-pyridinyl)-N-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine;4-bromopyridin-2-amine;4-methyl-N-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine is Cc1csc(Nc2cccc(C(F)(F)F)c2)n1.Nc1cc(-c2csc(Nc3cccc(C(F)(F)F)c3)n2)ccn1.Nc1cc(Br)ccn1.

What is the InChIKey of 4-(2-amino-4-pyridinyl)-N-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine;4-bromopyridin-2-amine;4-methyl-N-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine?

The InChIKey is AOFHCNXQDDQHDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F3N4S.C11H9F3N2S.C5H5BrN2/c16-15(17,18)10-2-1-3-11(7-10)21-14-22-12(8-23-14)9-4-5-20-13(19)6-9;1-7-6-17-10(15-7)16-9-4-2-3-8(5-9)11(12,13)14;6-4-1-2-8-5(7)3-4/h1-8H,(H2,19,20)(H,21,22);2-6H,1H3,(H,15,16);1-3H,(H2,7,8).

What are the key properties of 4-(2-amino-4-pyridinyl)-N-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine;4-bromopyridin-2-amine;4-methyl-N-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine?

4-(2-amino-4-pyridinyl)-N-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine;4-bromopyridin-2-amine;4-methyl-N-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine has a molecular weight of 767.62 g/mol, XLogP of 10.19, 5 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(2-amino-4-pyridinyl)-N-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine;4-bromopyridin-2-amine;4-methyl-N-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 157177769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).