1-ethyl-6-(2-morpholin-4-ylethoxy)-2-[4-(1-oxo-1,2-thiazolidin-2-yl)phenyl]indole-3-carbonitrile

C26H30N4O3S — CID 143184488

IUPAC1-ethyl-6-(2-morpholin-4-ylethoxy)-2-[4-(1-oxo-1,2-thiazolidin-2-yl)phenyl]indole-3-carbonitrile
SMILESCCn1c(-c2ccc(N3CCCS3=O)cc2)c(C#N)c2ccc(OCCN3CCOCC3)cc21
InChIInChI=1S/C26H30N4O3S/c1-2-29-25-18-22(33-16-13-28-11-14-32-15-12-28)8-9-23(25)24(19-27)26(29)20-4-6-21(7-5-20)30-10-3-17-34(30)31/h4-9,18H,2-3,10-17H2,1H3
InChIKeyHIHOQJDSEMEELO-UHFFFAOYSA-N
MW478.62 g/mol
LogP3.78
Rot. Bonds7

About 1-ethyl-6-(2-morpholin-4-ylethoxy)-2-[4-(1-oxo-1,2-thiazolidin-2-yl)phenyl]indole-3-carbonitrile

1-ethyl-6-(2-morpholin-4-ylethoxy)-2-[4-(1-oxo-1,2-thiazolidin-2-yl)phenyl]indole-3-carbonitrile (PubChem CID 143184488) has the molecular formula C26H30N4O3S and a molecular weight of 478.62 g/mol. Its IUPAC name is 1-ethyl-6-(2-morpholin-4-ylethoxy)-2-[4-(1-oxo-1,2-thiazolidin-2-yl)phenyl]indole-3-carbonitrile.

Molecular Properties

Compound Name1-ethyl-6-(2-morpholin-4-ylethoxy)-2-[4-(1-oxo-1,2-thiazolidin-2-yl)phenyl]indole-3-carbonitrile
PubChem CID143184488
Molecular FormulaC26H30N4O3S
Molecular Weight478.62 g/mol
Exact Mass478.20
IUPAC Name1-ethyl-6-(2-morpholin-4-ylethoxy)-2-[4-(1-oxo-1,2-thiazolidin-2-yl)phenyl]indole-3-carbonitrile
SMILESCCn1c(-c2ccc(N3CCCS3=O)cc2)c(C#N)c2ccc(OCCN3CCOCC3)cc21
InChIInChI=1S/C26H30N4O3S/c1-2-29-25-18-22(33-16-13-28-11-14-32-15-12-28)8-9-23(25)24(19-27)26(29)20-4-6-21(7-5-20)30-10-3-17-34(30)31/h4-9,18H,2-3,10-17H2,1H3
InChIKeyHIHOQJDSEMEELO-UHFFFAOYSA-N
XLogP3.78
TPSA70.73 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.62
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-[3-cyano-1-ethyl-6-(2-morpholin-4-ylethoxy)indol-2-yl]phenyl]methanesulfonamide
CID 59426014
2-[4-(1,1-dioxo-1,2,5-thiadiazolidin-2-yl)phenyl]-1-ethyl-6-(2-pyrrolidin-1-ylethoxy)indole-3-carbonitrile
CID 58724729
1-cyclopropyl-2-[4-(1-oxo-1,2-thiazolidin-2-yl)phenyl]-6-(2,2,2-trifluoroethoxy)indole-3-carbonitrile
CID 143511054
ethyl N-[3-[3-cyano-1-ethyl-6-(3-morpholin-4-ylpropoxy)indol-2-yl]phenyl]carbamate
CID 58693960
N-[[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]methyl]-2-morpholin-4-ylethanesulfonamide
CID 66866350
ethyl N-[4-[3-cyano-1-ethyl-6-(3-piperidin-1-ylpropoxy)indol-2-yl]phenyl]carbamate
CID 58694260
6-(difluoromethoxy)-1-ethyl-2-(4-pyrrolidin-1-ylphenyl)indole-3-carbonitrile
CID 143184641
2-(4-aminophenyl)-1-ethyl-6-(2-methoxyethoxy)indole-3-carbonitrile
CID 59425879
ethyl N-[4-[3-cyano-1-methyl-6-(3-morpholin-4-ylpropoxy)indol-2-yl]phenyl]carbamate
CID 143184497
1-ethyl-2-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-6-propan-2-yloxyindole-3-carbonitrile
CID 59425757
N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-6-morpholin-4-ylpyridine-3-sulfonamide
CID 58694533
N-[3-[3-cyano-1-ethyl-6-(3-pyrrolidin-1-ylpropoxy)indol-2-yl]phenyl]formamide;ethane;methoxyethane
CID 143185087

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-6-(2-morpholin-4-ylethoxy)-2-[4-(1-oxo-1,2-thiazolidin-2-yl)phenyl]indole-3-carbonitrile?
The IUPAC name of 1-ethyl-6-(2-morpholin-4-ylethoxy)-2-[4-(1-oxo-1,2-thiazolidin-2-yl)phenyl]indole-3-carbonitrile (CID 143184488) is 1-ethyl-6-(2-morpholin-4-ylethoxy)-2-[4-(1-oxo-1,2-thiazolidin-2-yl)phenyl]indole-3-carbonitrile.
What is the SMILES notation for 1-ethyl-6-(2-morpholin-4-ylethoxy)-2-[4-(1-oxo-1,2-thiazolidin-2-yl)phenyl]indole-3-carbonitrile?
The canonical SMILES for 1-ethyl-6-(2-morpholin-4-ylethoxy)-2-[4-(1-oxo-1,2-thiazolidin-2-yl)phenyl]indole-3-carbonitrile is CCn1c(-c2ccc(N3CCCS3=O)cc2)c(C#N)c2ccc(OCCN3CCOCC3)cc21.
What is the InChIKey of 1-ethyl-6-(2-morpholin-4-ylethoxy)-2-[4-(1-oxo-1,2-thiazolidin-2-yl)phenyl]indole-3-carbonitrile?
The InChIKey is HIHOQJDSEMEELO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N4O3S/c1-2-29-25-18-22(33-16-13-28-11-14-32-15-12-28)8-9-23(25)24(19-27)26(29)20-4-6-21(7-5-20)30-10-3-17-34(30)31/h4-9,18H,2-3,10-17H2,1H3.
What are the key properties of 1-ethyl-6-(2-morpholin-4-ylethoxy)-2-[4-(1-oxo-1,2-thiazolidin-2-yl)phenyl]indole-3-carbonitrile?
1-ethyl-6-(2-morpholin-4-ylethoxy)-2-[4-(1-oxo-1,2-thiazolidin-2-yl)phenyl]indole-3-carbonitrile has a molecular weight of 478.62 g/mol, XLogP of 3.78, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-6-(2-morpholin-4-ylethoxy)-2-[4-(1-oxo-1,2-thiazolidin-2-yl)phenyl]indole-3-carbonitrile is sourced from PubChem (CID 143184488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).