6-amino-N-[2-[3-(fluoromethyl)-4-(methylamino)pyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-2-methylthieno[2,3-d][1,3]thiazole-5-carboxamide

C22H27FN6OS2 — CID 172539854

About 6-amino-N-[2-[3-(fluoromethyl)-4-(methylamino)pyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-2-methylthieno[2,3-d][1,3]thiazole-5-carboxamide

6-amino-N-[2-[3-(fluoromethyl)-4-(methylamino)pyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-2-methylthieno[2,3-d][1,3]thiazole-5-carboxamide (PubChem CID 172539854) has the molecular formula C22H27FN6OS2 and a molecular weight of 474.63 g/mol. Its IUPAC name is 6-amino-N-[2-[3-(fluoromethyl)-4-(methylamino)pyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-2-methylthieno[2,3-d][1,3]thiazole-5-carboxamide.

Molecular Properties

• Compound Name: 6-amino-N-[2-[3-(fluoromethyl)-4-(methylamino)pyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-2-methylthieno[2,3-d][1,3]thiazole-5-carboxamide
• PubChem CID: 172539854
• Molecular Formula: C22H27FN6OS2
• Molecular Weight: 474.63 g/mol
• Exact Mass: 474.17
• IUPAC Name: 6-amino-N-[2-[3-(fluoromethyl)-4-(methylamino)pyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-2-methylthieno[2,3-d][1,3]thiazole-5-carboxamide
• SMILES: CNC1CN(c2ccc3c(n2)CCC(NC(=O)c2sc4nc(C)sc4c2N)C3)CC1CF
• InChI: InChI=1S/C22H27FN6OS2/c1-11-26-22-20(31-11)18(24)19(32-22)21(30)27-14-4-5-15-12(7-14)3-6-17(28-15)29-9-13(8-23)16(10-29)25-2/h3,6,13-14,16,25H,4-5,7-10,24H2,1-2H3,(H,27,30)
• InChIKey: AKZPXZPOMNUTQQ-UHFFFAOYSA-N
• XLogP: 2.92
• TPSA: 96.17 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	474.63
LogP ≤ 5	2.92
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 6-amino-N-[2-[3-(fluoromethyl)-4-(methylamino)pyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-2-methylthieno[2,3-d][1,3]thiazole-5-carboxamide?

The IUPAC name of 6-amino-N-[2-[3-(fluoromethyl)-4-(methylamino)pyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-2-methylthieno[2,3-d][1,3]thiazole-5-carboxamide (CID 172539854) is 6-amino-N-[2-[3-(fluoromethyl)-4-(methylamino)pyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-2-methylthieno[2,3-d][1,3]thiazole-5-carboxamide.

What is the SMILES notation for 6-amino-N-[2-[3-(fluoromethyl)-4-(methylamino)pyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-2-methylthieno[2,3-d][1,3]thiazole-5-carboxamide?

The canonical SMILES for 6-amino-N-[2-[3-(fluoromethyl)-4-(methylamino)pyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-2-methylthieno[2,3-d][1,3]thiazole-5-carboxamide is CNC1CN(c2ccc3c(n2)CCC(NC(=O)c2sc4nc(C)sc4c2N)C3)CC1CF.

What is the InChIKey of 6-amino-N-[2-[3-(fluoromethyl)-4-(methylamino)pyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-2-methylthieno[2,3-d][1,3]thiazole-5-carboxamide?

The InChIKey is AKZPXZPOMNUTQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27FN6OS2/c1-11-26-22-20(31-11)18(24)19(32-22)21(30)27-14-4-5-15-12(7-14)3-6-17(28-15)29-9-13(8-23)16(10-29)25-2/h3,6,13-14,16,25H,4-5,7-10,24H2,1-2H3,(H,27,30).

What are the key properties of 6-amino-N-[2-[3-(fluoromethyl)-4-(methylamino)pyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-2-methylthieno[2,3-d][1,3]thiazole-5-carboxamide?

6-amino-N-[2-[3-(fluoromethyl)-4-(methylamino)pyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-2-methylthieno[2,3-d][1,3]thiazole-5-carboxamide has a molecular weight of 474.63 g/mol, XLogP of 2.92, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 6-amino-N-[2-[3-(fluoromethyl)-4-(methylamino)pyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-2-methylthieno[2,3-d][1,3]thiazole-5-carboxamide is sourced from PubChem (CID 172539854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).