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

C25H26N6O2S2 — CID 25300870

IUPAC(3S)-2'-amino-5,7',7'-trimethyl-2,5'-dioxo-1'-(5-propan-2-ylsulfanyl-1,3,4-thiadiazol-2-yl)spiro[1H-indole-3,4'-6,8-dihydroquinoline]-3'-carbonitrile
SMILESCc1ccc2c(c1)[C@]1(C(=O)N2)C(C#N)=C(N)N(c2nnc(SC(C)C)s2)C2=C1C(=O)CC(C)(C)C2
InChIInChI=1S/C25H26N6O2S2/c1-12(2)34-23-30-29-22(35-23)31-17-9-24(4,5)10-18(32)19(17)25(15(11-26)20(31)27)14-8-13(3)6-7-16(14)28-21(25)33/h6-8,12H,9-10,27H2,1-5H3,(H,28,33)/t25-/m0/s1
InChIKeyGQWCEVQDGNXWCB-VWLOTQADSA-N
MW506.66 g/mol
LogP4.39
Rot. Bonds3

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

(3S)-2'-amino-5,7',7'-trimethyl-2,5'-dioxo-1'-(5-propan-2-ylsulfanyl-1,3,4-thiadiazol-2-yl)spiro[1H-indole-3,4'-6,8-dihydroquinoline]-3'-carbonitrile (PubChem CID 25300870) has the molecular formula C25H26N6O2S2 and a molecular weight of 506.66 g/mol. Its IUPAC name is (3S)-2'-amino-5,7',7'-trimethyl-2,5'-dioxo-1'-(5-propan-2-ylsulfanyl-1,3,4-thiadiazol-2-yl)spiro[1H-indole-3,4'-6,8-dihydroquinoline]-3'-carbonitrile.

Molecular Properties

Compound Name(3S)-2'-amino-5,7',7'-trimethyl-2,5'-dioxo-1'-(5-propan-2-ylsulfanyl-1,3,4-thiadiazol-2-yl)spiro[1H-indole-3,4'-6,8-dihydroquinoline]-3'-carbonitrile
PubChem CID25300870
Molecular FormulaC25H26N6O2S2
Molecular Weight506.66 g/mol
Exact Mass506.16
IUPAC Name(3S)-2'-amino-5,7',7'-trimethyl-2,5'-dioxo-1'-(5-propan-2-ylsulfanyl-1,3,4-thiadiazol-2-yl)spiro[1H-indole-3,4'-6,8-dihydroquinoline]-3'-carbonitrile
SMILESCc1ccc2c(c1)[C@]1(C(=O)N2)C(C#N)=C(N)N(c2nnc(SC(C)C)s2)C2=C1C(=O)CC(C)(C)C2
InChIInChI=1S/C25H26N6O2S2/c1-12(2)34-23-30-29-22(35-23)31-17-9-24(4,5)10-18(32)19(17)25(15(11-26)20(31)27)14-8-13(3)6-7-16(14)28-21(25)33/h6-8,12H,9-10,27H2,1-5H3,(H,28,33)/t25-/m0/s1
InChIKeyGQWCEVQDGNXWCB-VWLOTQADSA-N
XLogP4.39
TPSA125.00 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500506.66
LogP ≤ 54.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3S)-2'-amino-5,7',7'-trimethyl-2,5'-dioxo-1'-(5-propan-2-ylsulfanyl-1,3,4-thiadiazol-2-yl)spiro[1H-indole-3,4'-6,8-dihydroquinoline]-3'-carbonitrile?
The IUPAC name of (3S)-2'-amino-5,7',7'-trimethyl-2,5'-dioxo-1'-(5-propan-2-ylsulfanyl-1,3,4-thiadiazol-2-yl)spiro[1H-indole-3,4'-6,8-dihydroquinoline]-3'-carbonitrile (CID 25300870) is (3S)-2'-amino-5,7',7'-trimethyl-2,5'-dioxo-1'-(5-propan-2-ylsulfanyl-1,3,4-thiadiazol-2-yl)spiro[1H-indole-3,4'-6,8-dihydroquinoline]-3'-carbonitrile.
What is the SMILES notation for (3S)-2'-amino-5,7',7'-trimethyl-2,5'-dioxo-1'-(5-propan-2-ylsulfanyl-1,3,4-thiadiazol-2-yl)spiro[1H-indole-3,4'-6,8-dihydroquinoline]-3'-carbonitrile?
The canonical SMILES for (3S)-2'-amino-5,7',7'-trimethyl-2,5'-dioxo-1'-(5-propan-2-ylsulfanyl-1,3,4-thiadiazol-2-yl)spiro[1H-indole-3,4'-6,8-dihydroquinoline]-3'-carbonitrile is Cc1ccc2c(c1)[C@]1(C(=O)N2)C(C#N)=C(N)N(c2nnc(SC(C)C)s2)C2=C1C(=O)CC(C)(C)C2.
What is the InChIKey of (3S)-2'-amino-5,7',7'-trimethyl-2,5'-dioxo-1'-(5-propan-2-ylsulfanyl-1,3,4-thiadiazol-2-yl)spiro[1H-indole-3,4'-6,8-dihydroquinoline]-3'-carbonitrile?
The InChIKey is GQWCEVQDGNXWCB-VWLOTQADSA-N. The full InChI is InChI=1S/C25H26N6O2S2/c1-12(2)34-23-30-29-22(35-23)31-17-9-24(4,5)10-18(32)19(17)25(15(11-26)20(31)27)14-8-13(3)6-7-16(14)28-21(25)33/h6-8,12H,9-10,27H2,1-5H3,(H,28,33)/t25-/m0/s1.
What are the key properties of (3S)-2'-amino-5,7',7'-trimethyl-2,5'-dioxo-1'-(5-propan-2-ylsulfanyl-1,3,4-thiadiazol-2-yl)spiro[1H-indole-3,4'-6,8-dihydroquinoline]-3'-carbonitrile?
(3S)-2'-amino-5,7',7'-trimethyl-2,5'-dioxo-1'-(5-propan-2-ylsulfanyl-1,3,4-thiadiazol-2-yl)spiro[1H-indole-3,4'-6,8-dihydroquinoline]-3'-carbonitrile has a molecular weight of 506.66 g/mol, XLogP of 4.39, 3 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-2'-amino-5,7',7'-trimethyl-2,5'-dioxo-1'-(5-propan-2-ylsulfanyl-1,3,4-thiadiazol-2-yl)spiro[1H-indole-3,4'-6,8-dihydroquinoline]-3'-carbonitrile is sourced from PubChem (CID 25300870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).