2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-6-methoxy-1H-indole-3-carbonitrile

C19H17N3O3S — CID 59425386

IUPAC2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-6-methoxy-1H-indole-3-carbonitrile
SMILESCOc1ccc2c(C#N)c(-c3ccc(N4CCCS4(=O)=O)cc3)[nH]c2c1
InChIInChI=1S/C19H17N3O3S/c1-25-15-7-8-16-17(12-20)19(21-18(16)11-15)13-3-5-14(6-4-13)22-9-2-10-26(22,23)24/h3-8,11,21H,2,9-10H2,1H3
InChIKeyPNGWALUTTTVELD-UHFFFAOYSA-N
MW367.43 g/mol
LogP3.26
Rot. Bonds3

About 2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-6-methoxy-1H-indole-3-carbonitrile

2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-6-methoxy-1H-indole-3-carbonitrile (PubChem CID 59425386) has the molecular formula C19H17N3O3S and a molecular weight of 367.43 g/mol. Its IUPAC name is 2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-6-methoxy-1H-indole-3-carbonitrile.

Molecular Properties

Compound Name2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-6-methoxy-1H-indole-3-carbonitrile
PubChem CID59425386
Molecular FormulaC19H17N3O3S
Molecular Weight367.43 g/mol
Exact Mass367.10
IUPAC Name2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-6-methoxy-1H-indole-3-carbonitrile
SMILESCOc1ccc2c(C#N)c(-c3ccc(N4CCCS4(=O)=O)cc3)[nH]c2c1
InChIInChI=1S/C19H17N3O3S/c1-25-15-7-8-16-17(12-20)19(21-18(16)11-15)13-3-5-14(6-4-13)22-9-2-10-26(22,23)24/h3-8,11,21H,2,9-10H2,1H3
InChIKeyPNGWALUTTTVELD-UHFFFAOYSA-N
XLogP3.26
TPSA86.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.43
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-6-(trifluoromethoxy)-1H-indole-3-carbonitrile
CID 59425342
2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-1-ethenyl-6-methoxyindole-3-carbonitrile
CID 58694367
N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-7-methoxy-2-oxo-1H-quinoline-3-carboxamide
CID 90489621
2-[4-(1,1-dioxo-1,2,5-thiadiazolidin-2-yl)phenyl]-6-methoxy-1-methylindole-3-carbonitrile
CID 143183947
4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzene-1,2-dicarbonitrile
CID 107796090
2-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-methoxyaniline
CID 63258635
2-[4-(5-benzyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)phenyl]-1-ethyl-6-methoxyindole-3-carbonitrile;2-[4-(1,1-dioxo-1,2,5-thiadiazolidin-2-yl)phenyl]-1-ethyl-6-methoxyindole-3-carbonitrile;2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-1-ethyl-6-(2-piperidin-1-ylethoxy)indole-3-carbonitrile;2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-1-ethyl-6-(2-pyrrolidin-1-ylethoxy)indole-3-carbonitrile;1-ethyl-6-methoxy-2-[4-(5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)phenyl]indole-3-carbonitrile
CID 160580237
4-(3-cyano-4-ethyl-6-methoxy-1H-indol-2-yl)benzoic acid
CID 69183708
[2-(3-methoxyphenyl)-2-oxoethyl] 4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoate
CID 18099179
7-methoxy-2-oxo-4-phenyl-1H-quinoline-3-carbonitrile
CID 86683080
2-(4-bromo-3-methoxyphenyl)-1,2-thiazolidine 1,1-dioxide
CID 170557126
7-methoxy-9H-carbazole-2-carbonitrile
CID 10775390

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-6-methoxy-1H-indole-3-carbonitrile?
The IUPAC name of 2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-6-methoxy-1H-indole-3-carbonitrile (CID 59425386) is 2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-6-methoxy-1H-indole-3-carbonitrile.
What is the SMILES notation for 2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-6-methoxy-1H-indole-3-carbonitrile?
The canonical SMILES for 2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-6-methoxy-1H-indole-3-carbonitrile is COc1ccc2c(C#N)c(-c3ccc(N4CCCS4(=O)=O)cc3)[nH]c2c1.
What is the InChIKey of 2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-6-methoxy-1H-indole-3-carbonitrile?
The InChIKey is PNGWALUTTTVELD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O3S/c1-25-15-7-8-16-17(12-20)19(21-18(16)11-15)13-3-5-14(6-4-13)22-9-2-10-26(22,23)24/h3-8,11,21H,2,9-10H2,1H3.
What are the key properties of 2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-6-methoxy-1H-indole-3-carbonitrile?
2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-6-methoxy-1H-indole-3-carbonitrile has a molecular weight of 367.43 g/mol, XLogP of 3.26, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-6-methoxy-1H-indole-3-carbonitrile is sourced from PubChem (CID 59425386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).