5-[(1R)-3-hydroxy-1-[3-[(1-methylazetidin-3-yl)carbamoyl]phenyl]propyl]-5,6,7,8-tetrahydro-[1,3]thiazolo[5,4-b]quinoline-2-carboxamide

C25H29N5O3S — CID 164934880

About 5-[(1R)-3-hydroxy-1-[3-[(1-methylazetidin-3-yl)carbamoyl]phenyl]propyl]-5,6,7,8-tetrahydro-[1,3]thiazolo[5,4-b]quinoline-2-carboxamide

5-[(1R)-3-hydroxy-1-[3-[(1-methylazetidin-3-yl)carbamoyl]phenyl]propyl]-5,6,7,8-tetrahydro-[1,3]thiazolo[5,4-b]quinoline-2-carboxamide (PubChem CID 164934880) has the molecular formula C25H29N5O3S and a molecular weight of 479.61 g/mol. Its IUPAC name is 5-[(1R)-3-hydroxy-1-[3-[(1-methylazetidin-3-yl)carbamoyl]phenyl]propyl]-5,6,7,8-tetrahydro-[1,3]thiazolo[5,4-b]quinoline-2-carboxamide.

Molecular Properties

• Compound Name: 5-[(1R)-3-hydroxy-1-[3-[(1-methylazetidin-3-yl)carbamoyl]phenyl]propyl]-5,6,7,8-tetrahydro-[1,3]thiazolo[5,4-b]quinoline-2-carboxamide
• PubChem CID: 164934880
• Molecular Formula: C25H29N5O3S
• Molecular Weight: 479.61 g/mol
• Exact Mass: 479.20
• IUPAC Name: 5-[(1R)-3-hydroxy-1-[3-[(1-methylazetidin-3-yl)carbamoyl]phenyl]propyl]-5,6,7,8-tetrahydro-[1,3]thiazolo[5,4-b]quinoline-2-carboxamide
• SMILES: CN1CC(NC(=O)c2cccc([C@H](CCO)C3CCCc4cc5nc(C(N)=O)sc5nc43)c2)C1
• InChI: InChI=1S/C25H29N5O3S/c1-30-12-17(13-30)27-23(33)16-6-2-4-14(10-16)18(8-9-31)19-7-3-5-15-11-20-24(29-21(15)19)34-25(28-20)22(26)32/h2,4,6,10-11,17-19,31H,3,5,7-9,12-13H2,1H3,(H2,26,32)(H,27,33)/t18-,19?/m0/s1
• InChIKey: WEVMBKAIWRBDGL-OYKVQYDMSA-N
• XLogP: 2.42
• TPSA: 121.44 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	479.61
LogP ≤ 5	2.42
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 5-[(1R)-3-hydroxy-1-[3-[(1-methylazetidin-3-yl)carbamoyl]phenyl]propyl]-5,6,7,8-tetrahydro-[1,3]thiazolo[5,4-b]quinoline-2-carboxamide?

The IUPAC name of 5-[(1R)-3-hydroxy-1-[3-[(1-methylazetidin-3-yl)carbamoyl]phenyl]propyl]-5,6,7,8-tetrahydro-[1,3]thiazolo[5,4-b]quinoline-2-carboxamide (CID 164934880) is 5-[(1R)-3-hydroxy-1-[3-[(1-methylazetidin-3-yl)carbamoyl]phenyl]propyl]-5,6,7,8-tetrahydro-[1,3]thiazolo[5,4-b]quinoline-2-carboxamide.

What is the SMILES notation for 5-[(1R)-3-hydroxy-1-[3-[(1-methylazetidin-3-yl)carbamoyl]phenyl]propyl]-5,6,7,8-tetrahydro-[1,3]thiazolo[5,4-b]quinoline-2-carboxamide?

The canonical SMILES for 5-[(1R)-3-hydroxy-1-[3-[(1-methylazetidin-3-yl)carbamoyl]phenyl]propyl]-5,6,7,8-tetrahydro-[1,3]thiazolo[5,4-b]quinoline-2-carboxamide is CN1CC(NC(=O)c2cccc([C@H](CCO)C3CCCc4cc5nc(C(N)=O)sc5nc43)c2)C1.

What is the InChIKey of 5-[(1R)-3-hydroxy-1-[3-[(1-methylazetidin-3-yl)carbamoyl]phenyl]propyl]-5,6,7,8-tetrahydro-[1,3]thiazolo[5,4-b]quinoline-2-carboxamide?

The InChIKey is WEVMBKAIWRBDGL-OYKVQYDMSA-N. The full InChI is InChI=1S/C25H29N5O3S/c1-30-12-17(13-30)27-23(33)16-6-2-4-14(10-16)18(8-9-31)19-7-3-5-15-11-20-24(29-21(15)19)34-25(28-20)22(26)32/h2,4,6,10-11,17-19,31H,3,5,7-9,12-13H2,1H3,(H2,26,32)(H,27,33)/t18-,19?/m0/s1.

What are the key properties of 5-[(1R)-3-hydroxy-1-[3-[(1-methylazetidin-3-yl)carbamoyl]phenyl]propyl]-5,6,7,8-tetrahydro-[1,3]thiazolo[5,4-b]quinoline-2-carboxamide?

5-[(1R)-3-hydroxy-1-[3-[(1-methylazetidin-3-yl)carbamoyl]phenyl]propyl]-5,6,7,8-tetrahydro-[1,3]thiazolo[5,4-b]quinoline-2-carboxamide has a molecular weight of 479.61 g/mol, XLogP of 2.42, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[(1R)-3-hydroxy-1-[3-[(1-methylazetidin-3-yl)carbamoyl]phenyl]propyl]-5,6,7,8-tetrahydro-[1,3]thiazolo[5,4-b]quinoline-2-carboxamide is sourced from PubChem (CID 164934880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).