(4R)-2-amino-1',7,7-trimethyl-2',5-dioxo-1-(5-propan-2-ylsulfanyl-1,3,4-thiadiazol-2-yl)spiro[6,8-dihydroquinoline-4,3'-indole]-3-carbonitrile

C25H26N6O2S2 — CID 42578367

About (4R)-2-amino-1',7,7-trimethyl-2',5-dioxo-1-(5-propan-2-ylsulfanyl-1,3,4-thiadiazol-2-yl)spiro[6,8-dihydroquinoline-4,3'-indole]-3-carbonitrile

(4R)-2-amino-1',7,7-trimethyl-2',5-dioxo-1-(5-propan-2-ylsulfanyl-1,3,4-thiadiazol-2-yl)spiro[6,8-dihydroquinoline-4,3'-indole]-3-carbonitrile (PubChem CID 42578367) has the molecular formula C25H26N6O2S2 and a molecular weight of 506.66 g/mol. Its IUPAC name is (4R)-2-amino-1',7,7-trimethyl-2',5-dioxo-1-(5-propan-2-ylsulfanyl-1,3,4-thiadiazol-2-yl)spiro[6,8-dihydroquinoline-4,3'-indole]-3-carbonitrile.

Molecular Properties

• Compound Name: (4R)-2-amino-1',7,7-trimethyl-2',5-dioxo-1-(5-propan-2-ylsulfanyl-1,3,4-thiadiazol-2-yl)spiro[6,8-dihydroquinoline-4,3'-indole]-3-carbonitrile
• PubChem CID: 42578367
• Molecular Formula: C25H26N6O2S2
• Molecular Weight: 506.66 g/mol
• Exact Mass: 506.16
• IUPAC Name: (4R)-2-amino-1',7,7-trimethyl-2',5-dioxo-1-(5-propan-2-ylsulfanyl-1,3,4-thiadiazol-2-yl)spiro[6,8-dihydroquinoline-4,3'-indole]-3-carbonitrile
• SMILES: CC(C)Sc1nnc(N2C(N)=C(C#N)[C@@]3(C(=O)N(C)c4ccccc43)C3=C2CC(C)(C)CC3=O)s1
• InChI: InChI=1S/C25H26N6O2S2/c1-13(2)34-23-29-28-22(35-23)31-17-10-24(3,4)11-18(32)19(17)25(15(12-26)20(31)27)14-8-6-7-9-16(14)30(5)21(25)33/h6-9,13H,10-11,27H2,1-5H3/t25-/m1/s1
• InChIKey: AZMADIRUPOTRGZ-RUZDIDTESA-N
• XLogP: 4.11
• TPSA: 116.21 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 3
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	506.66
LogP ≤ 5	4.11
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of (4R)-2-amino-1',7,7-trimethyl-2',5-dioxo-1-(5-propan-2-ylsulfanyl-1,3,4-thiadiazol-2-yl)spiro[6,8-dihydroquinoline-4,3'-indole]-3-carbonitrile?

The IUPAC name of (4R)-2-amino-1',7,7-trimethyl-2',5-dioxo-1-(5-propan-2-ylsulfanyl-1,3,4-thiadiazol-2-yl)spiro[6,8-dihydroquinoline-4,3'-indole]-3-carbonitrile (CID 42578367) is (4R)-2-amino-1',7,7-trimethyl-2',5-dioxo-1-(5-propan-2-ylsulfanyl-1,3,4-thiadiazol-2-yl)spiro[6,8-dihydroquinoline-4,3'-indole]-3-carbonitrile.

What is the SMILES notation for (4R)-2-amino-1',7,7-trimethyl-2',5-dioxo-1-(5-propan-2-ylsulfanyl-1,3,4-thiadiazol-2-yl)spiro[6,8-dihydroquinoline-4,3'-indole]-3-carbonitrile?

The canonical SMILES for (4R)-2-amino-1',7,7-trimethyl-2',5-dioxo-1-(5-propan-2-ylsulfanyl-1,3,4-thiadiazol-2-yl)spiro[6,8-dihydroquinoline-4,3'-indole]-3-carbonitrile is CC(C)Sc1nnc(N2C(N)=C(C#N)[C@@]3(C(=O)N(C)c4ccccc43)C3=C2CC(C)(C)CC3=O)s1.

What is the InChIKey of (4R)-2-amino-1',7,7-trimethyl-2',5-dioxo-1-(5-propan-2-ylsulfanyl-1,3,4-thiadiazol-2-yl)spiro[6,8-dihydroquinoline-4,3'-indole]-3-carbonitrile?

The InChIKey is AZMADIRUPOTRGZ-RUZDIDTESA-N. The full InChI is InChI=1S/C25H26N6O2S2/c1-13(2)34-23-29-28-22(35-23)31-17-10-24(3,4)11-18(32)19(17)25(15(12-26)20(31)27)14-8-6-7-9-16(14)30(5)21(25)33/h6-9,13H,10-11,27H2,1-5H3/t25-/m1/s1.

What are the key properties of (4R)-2-amino-1',7,7-trimethyl-2',5-dioxo-1-(5-propan-2-ylsulfanyl-1,3,4-thiadiazol-2-yl)spiro[6,8-dihydroquinoline-4,3'-indole]-3-carbonitrile?

(4R)-2-amino-1',7,7-trimethyl-2',5-dioxo-1-(5-propan-2-ylsulfanyl-1,3,4-thiadiazol-2-yl)spiro[6,8-dihydroquinoline-4,3'-indole]-3-carbonitrile has a molecular weight of 506.66 g/mol, XLogP of 4.11, 3 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for (4R)-2-amino-1',7,7-trimethyl-2',5-dioxo-1-(5-propan-2-ylsulfanyl-1,3,4-thiadiazol-2-yl)spiro[6,8-dihydroquinoline-4,3'-indole]-3-carbonitrile is sourced from PubChem (CID 42578367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).