6-amino-N-[2-[3-amino-4-(1-methoxy-2-methylpropan-2-yl)oxypyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-2-methylthieno[2,3-d][1,3]thiazole-5-carboxamide

C25H34N6O3S2 — CID 146348723

About 6-amino-N-[2-[3-amino-4-(1-methoxy-2-methylpropan-2-yl)oxypyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-2-methylthieno[2,3-d][1,3]thiazole-5-carboxamide

6-amino-N-[2-[3-amino-4-(1-methoxy-2-methylpropan-2-yl)oxypyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-2-methylthieno[2,3-d][1,3]thiazole-5-carboxamide (PubChem CID 146348723) has the molecular formula C25H34N6O3S2 and a molecular weight of 530.72 g/mol. Its IUPAC name is 6-amino-N-[2-[3-amino-4-(1-methoxy-2-methylpropan-2-yl)oxypyrrolidin-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-amino-4-(1-methoxy-2-methylpropan-2-yl)oxypyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-2-methylthieno[2,3-d][1,3]thiazole-5-carboxamide
• PubChem CID: 146348723
• Molecular Formula: C25H34N6O3S2
• Molecular Weight: 530.72 g/mol
• Exact Mass: 530.21
• IUPAC Name: 6-amino-N-[2-[3-amino-4-(1-methoxy-2-methylpropan-2-yl)oxypyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-2-methylthieno[2,3-d][1,3]thiazole-5-carboxamide
• SMILES: COCC(C)(C)OC1CN(c2ccc3c(n2)CCC(NC(=O)c2sc4nc(C)sc4c2N)C3)CC1N
• InChI: InChI=1S/C25H34N6O3S2/c1-13-28-24-22(35-13)20(27)21(36-24)23(32)29-15-6-7-17-14(9-15)5-8-19(30-17)31-10-16(26)18(11-31)34-25(2,3)12-33-4/h5,8,15-16,18H,6-7,9-12,26-27H2,1-4H3,(H,29,32)
• InChIKey: FESNARJSKZRPQH-UHFFFAOYSA-N
• XLogP: 2.89
• TPSA: 128.62 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 10
• Rotatable Bonds: 7
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	530.72
LogP ≤ 5	2.89
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 6-amino-N-[2-[3-amino-4-(1-methoxy-2-methylpropan-2-yl)oxypyrrolidin-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-amino-4-(1-methoxy-2-methylpropan-2-yl)oxypyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-2-methylthieno[2,3-d][1,3]thiazole-5-carboxamide (CID 146348723) is 6-amino-N-[2-[3-amino-4-(1-methoxy-2-methylpropan-2-yl)oxypyrrolidin-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-amino-4-(1-methoxy-2-methylpropan-2-yl)oxypyrrolidin-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-amino-4-(1-methoxy-2-methylpropan-2-yl)oxypyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-2-methylthieno[2,3-d][1,3]thiazole-5-carboxamide is COCC(C)(C)OC1CN(c2ccc3c(n2)CCC(NC(=O)c2sc4nc(C)sc4c2N)C3)CC1N.

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

The InChIKey is FESNARJSKZRPQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N6O3S2/c1-13-28-24-22(35-13)20(27)21(36-24)23(32)29-15-6-7-17-14(9-15)5-8-19(30-17)31-10-16(26)18(11-31)34-25(2,3)12-33-4/h5,8,15-16,18H,6-7,9-12,26-27H2,1-4H3,(H,29,32).

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

6-amino-N-[2-[3-amino-4-(1-methoxy-2-methylpropan-2-yl)oxypyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-2-methylthieno[2,3-d][1,3]thiazole-5-carboxamide has a molecular weight of 530.72 g/mol, XLogP of 2.89, 7 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 6-amino-N-[2-[3-amino-4-(1-methoxy-2-methylpropan-2-yl)oxypyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-2-methylthieno[2,3-d][1,3]thiazole-5-carboxamide is sourced from PubChem (CID 146348723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).