2'-(4-methoxyanilino)spiro[1H-indole-3,5'-4H-1,3-thiazole]-2-one

C17H15N3O2S — CID 132546315

IUPAC2'-(4-methoxyanilino)spiro[1H-indole-3,5'-4H-1,3-thiazole]-2-one
SMILESCOc1ccc(NC2=NCC3(S2)C(=O)Nc2ccccc23)cc1
InChIInChI=1S/C17H15N3O2S/c1-22-12-8-6-11(7-9-12)19-16-18-10-17(23-16)13-4-2-3-5-14(13)20-15(17)21/h2-9H,10H2,1H3,(H,18,19)(H,20,21)
InChIKeyKBZFINKLHBNPTK-UHFFFAOYSA-N
MW325.39 g/mol
LogP3.06
Rot. Bonds2

About 2'-(4-methoxyanilino)spiro[1H-indole-3,5'-4H-1,3-thiazole]-2-one

2'-(4-methoxyanilino)spiro[1H-indole-3,5'-4H-1,3-thiazole]-2-one (PubChem CID 132546315) has the molecular formula C17H15N3O2S and a molecular weight of 325.39 g/mol. Its IUPAC name is 2'-(4-methoxyanilino)spiro[1H-indole-3,5'-4H-1,3-thiazole]-2-one.

Molecular Properties

Compound Name2'-(4-methoxyanilino)spiro[1H-indole-3,5'-4H-1,3-thiazole]-2-one
PubChem CID132546315
Molecular FormulaC17H15N3O2S
Molecular Weight325.39 g/mol
Exact Mass325.09
IUPAC Name2'-(4-methoxyanilino)spiro[1H-indole-3,5'-4H-1,3-thiazole]-2-one
SMILESCOc1ccc(NC2=NCC3(S2)C(=O)Nc2ccccc23)cc1
InChIInChI=1S/C17H15N3O2S/c1-22-12-8-6-11(7-9-12)19-16-18-10-17(23-16)13-4-2-3-5-14(13)20-15(17)21/h2-9H,10H2,1H3,(H,18,19)(H,20,21)
InChIKeyKBZFINKLHBNPTK-UHFFFAOYSA-N
XLogP3.06
TPSA62.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.39
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(3S)-3-[(1R)-1-hydroxy-2-oxopropyl]-3-(4-methoxyanilino)-1H-indol-2-one
CID 57380045
3-but-2-ynyl-3-(4-methoxyanilino)-1H-indol-2-one
CID 46845466
3-(4-methoxyanilino)-3-(2-methylprop-2-enyl)-1H-indol-2-one
CID 46845599
N-(4-methoxyphenyl)-7-thia-9-azaspiro[4.5]dec-8-en-8-amine
CID 115360949
N-(4-methoxyphenyl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine
CID 103967536
(3S)-1'-(4-methoxyphenyl)spiro[1H-indole-3,4'-5,7-dihydropyrazolo[5,4-b]pyridine]-2,6'-dione
CID 135950536
(2R,5S)-3-(4-methoxyphenyl)-5-methylspiro[1,3-thiazolidine-2,3'-1H-indole]-2',4-dione
CID 902536
(3R,3'S,5'S)-N-(4-methoxyphenyl)-5'-methyl-2-oxospiro[1H-indole-3,2'-pyrrolidin-1-ium]-3'-carboxamide
CID 7097645
5-methoxy-5'-(4-methoxyphenyl)spiro[1H-indole-3,2'-3H-1,3,4-thiadiazole]-2-one
CID 24754174
N-(4-methoxyphenyl)-4,5-dihydro-1,3-thiazol-2-amine bromide
CID 21179407
3-hydroxy-3-(2-hydroxy-5-methoxyphenyl)-1H-indol-2-one
CID 15857499
(3R,3'S,5'R)-N-(4-methoxyphenyl)-2-oxo-5'-propan-2-ylspiro[1H-indole-3,2'-pyrrolidine]-3'-carboxamide
CID 7097418

Frequently Asked Questions

What is the IUPAC name of 2'-(4-methoxyanilino)spiro[1H-indole-3,5'-4H-1,3-thiazole]-2-one?
The IUPAC name of 2'-(4-methoxyanilino)spiro[1H-indole-3,5'-4H-1,3-thiazole]-2-one (CID 132546315) is 2'-(4-methoxyanilino)spiro[1H-indole-3,5'-4H-1,3-thiazole]-2-one.
What is the SMILES notation for 2'-(4-methoxyanilino)spiro[1H-indole-3,5'-4H-1,3-thiazole]-2-one?
The canonical SMILES for 2'-(4-methoxyanilino)spiro[1H-indole-3,5'-4H-1,3-thiazole]-2-one is COc1ccc(NC2=NCC3(S2)C(=O)Nc2ccccc23)cc1.
What is the InChIKey of 2'-(4-methoxyanilino)spiro[1H-indole-3,5'-4H-1,3-thiazole]-2-one?
The InChIKey is KBZFINKLHBNPTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O2S/c1-22-12-8-6-11(7-9-12)19-16-18-10-17(23-16)13-4-2-3-5-14(13)20-15(17)21/h2-9H,10H2,1H3,(H,18,19)(H,20,21).
What are the key properties of 2'-(4-methoxyanilino)spiro[1H-indole-3,5'-4H-1,3-thiazole]-2-one?
2'-(4-methoxyanilino)spiro[1H-indole-3,5'-4H-1,3-thiazole]-2-one has a molecular weight of 325.39 g/mol, XLogP of 3.06, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2'-(4-methoxyanilino)spiro[1H-indole-3,5'-4H-1,3-thiazole]-2-one is sourced from PubChem (CID 132546315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).