6-(5-methyl-1,3-thiazol-2-yl)-N-[(1R)-1-[2-(trifluoromethyl)pyrimidin-5-yl]ethyl]cinnolin-4-amine

C19H15F3N6S — CID 167090416

About 6-(5-methyl-1,3-thiazol-2-yl)-N-[(1R)-1-[2-(trifluoromethyl)pyrimidin-5-yl]ethyl]cinnolin-4-amine

6-(5-methyl-1,3-thiazol-2-yl)-N-[(1R)-1-[2-(trifluoromethyl)pyrimidin-5-yl]ethyl]cinnolin-4-amine (PubChem CID 167090416) has the molecular formula C19H15F3N6S and a molecular weight of 416.43 g/mol. Its IUPAC name is 6-(5-methyl-1,3-thiazol-2-yl)-N-[(1R)-1-[2-(trifluoromethyl)pyrimidin-5-yl]ethyl]cinnolin-4-amine.

Molecular Properties

• Compound Name: 6-(5-methyl-1,3-thiazol-2-yl)-N-[(1R)-1-[2-(trifluoromethyl)pyrimidin-5-yl]ethyl]cinnolin-4-amine
• PubChem CID: 167090416
• Molecular Formula: C19H15F3N6S
• Molecular Weight: 416.43 g/mol
• Exact Mass: 416.10
• IUPAC Name: 6-(5-methyl-1,3-thiazol-2-yl)-N-[(1R)-1-[2-(trifluoromethyl)pyrimidin-5-yl]ethyl]cinnolin-4-amine
• SMILES: Cc1cnc(-c2ccc3nncc(N[C@H](C)c4cnc(C(F)(F)F)nc4)c3c2)s1
• InChI: InChI=1S/C19H15F3N6S/c1-10-6-23-17(29-10)12-3-4-15-14(5-12)16(9-26-28-15)27-11(2)13-7-24-18(25-8-13)19(20,21)22/h3-9,11H,1-2H3,(H,27,28)/t11-/m1/s1
• InChIKey: GXCVJMGXNBELRX-LLVKDONJSA-N
• XLogP: 5.04
• TPSA: 76.48 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	416.43
LogP ≤ 5	5.04
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 6-(5-methyl-1,3-thiazol-2-yl)-N-[(1R)-1-[2-(trifluoromethyl)pyrimidin-5-yl]ethyl]cinnolin-4-amine?

The IUPAC name of 6-(5-methyl-1,3-thiazol-2-yl)-N-[(1R)-1-[2-(trifluoromethyl)pyrimidin-5-yl]ethyl]cinnolin-4-amine (CID 167090416) is 6-(5-methyl-1,3-thiazol-2-yl)-N-[(1R)-1-[2-(trifluoromethyl)pyrimidin-5-yl]ethyl]cinnolin-4-amine.

What is the SMILES notation for 6-(5-methyl-1,3-thiazol-2-yl)-N-[(1R)-1-[2-(trifluoromethyl)pyrimidin-5-yl]ethyl]cinnolin-4-amine?

The canonical SMILES for 6-(5-methyl-1,3-thiazol-2-yl)-N-[(1R)-1-[2-(trifluoromethyl)pyrimidin-5-yl]ethyl]cinnolin-4-amine is Cc1cnc(-c2ccc3nncc(N[C@H](C)c4cnc(C(F)(F)F)nc4)c3c2)s1.

What is the InChIKey of 6-(5-methyl-1,3-thiazol-2-yl)-N-[(1R)-1-[2-(trifluoromethyl)pyrimidin-5-yl]ethyl]cinnolin-4-amine?

The InChIKey is GXCVJMGXNBELRX-LLVKDONJSA-N. The full InChI is InChI=1S/C19H15F3N6S/c1-10-6-23-17(29-10)12-3-4-15-14(5-12)16(9-26-28-15)27-11(2)13-7-24-18(25-8-13)19(20,21)22/h3-9,11H,1-2H3,(H,27,28)/t11-/m1/s1.

What are the key properties of 6-(5-methyl-1,3-thiazol-2-yl)-N-[(1R)-1-[2-(trifluoromethyl)pyrimidin-5-yl]ethyl]cinnolin-4-amine?

6-(5-methyl-1,3-thiazol-2-yl)-N-[(1R)-1-[2-(trifluoromethyl)pyrimidin-5-yl]ethyl]cinnolin-4-amine has a molecular weight of 416.43 g/mol, XLogP of 5.04, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(5-methyl-1,3-thiazol-2-yl)-N-[(1R)-1-[2-(trifluoromethyl)pyrimidin-5-yl]ethyl]cinnolin-4-amine is sourced from PubChem (CID 167090416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).