1-cyclobutyl-2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-6-morpholin-4-ylindol-3-amine

C25H30N4O3S — CID 70859441

IUPAC1-cyclobutyl-2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-6-morpholin-4-ylindol-3-amine
SMILESNc1c(-c2ccc(N3CCCS3(=O)=O)cc2)n(C2CCC2)c2cc(N3CCOCC3)ccc12
InChIInChI=1S/C25H30N4O3S/c26-24-22-10-9-21(27-12-14-32-15-13-27)17-23(22)29(20-3-1-4-20)25(24)18-5-7-19(8-6-18)28-11-2-16-33(28,30)31/h5-10,17,20H,1-4,11-16,26H2
InChIKeyIPWOIWINIVEIGU-UHFFFAOYSA-N
MW466.61 g/mol
LogP3.99
Rot. Bonds4

About 1-cyclobutyl-2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-6-morpholin-4-ylindol-3-amine

1-cyclobutyl-2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-6-morpholin-4-ylindol-3-amine (PubChem CID 70859441) has the molecular formula C25H30N4O3S and a molecular weight of 466.61 g/mol. Its IUPAC name is 1-cyclobutyl-2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-6-morpholin-4-ylindol-3-amine.

Molecular Properties

Compound Name1-cyclobutyl-2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-6-morpholin-4-ylindol-3-amine
PubChem CID70859441
Molecular FormulaC25H30N4O3S
Molecular Weight466.61 g/mol
Exact Mass466.20
IUPAC Name1-cyclobutyl-2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-6-morpholin-4-ylindol-3-amine
SMILESNc1c(-c2ccc(N3CCCS3(=O)=O)cc2)n(C2CCC2)c2cc(N3CCOCC3)ccc12
InChIInChI=1S/C25H30N4O3S/c26-24-22-10-9-21(27-12-14-32-15-13-27)17-23(22)29(20-3-1-4-20)25(24)18-5-7-19(8-6-18)28-11-2-16-33(28,30)31/h5-10,17,20H,1-4,11-16,26H2
InChIKeyIPWOIWINIVEIGU-UHFFFAOYSA-N
XLogP3.99
TPSA80.80 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.61
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[(1R)-1-(4-fluorophenyl)ethyl] N-[4-(3-amino-1-cyclobutyl-6-morpholin-4-ylindol-2-yl)phenyl]carbamate
CID 70826212
4-N-[4-[3-amino-1-cyclobutyl-6-(oxan-4-yloxy)indol-2-yl]phenyl]benzene-1,4-diamine
CID 89039438
[4-(3-amino-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]-morpholin-4-ylmethanone
CID 71176585
1-[4-[3-amino-1-cyclobutyl-6-(oxan-4-yloxy)indol-2-yl]phenyl]-3-cyclobutylurea
CID 71177339
1-cyclobutyl-2-[4-[[(1S)-1-cyclopropylethyl]sulfamoylamino]phenyl]-6-morpholin-4-ylindole-3-carbonitrile
CID 59424995
[(1R)-1-cyclopropylethyl] N-[4-(3-cyano-1-cyclobutyl-6-morpholin-4-ylindol-2-yl)phenyl]carbamate
CID 59425627
2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-1-propyl-6-(trifluoromethoxy)indol-3-amine
CID 70844125
1-[3-[4-[3-amino-1-cyclobutyl-6-(oxan-4-yloxy)indol-2-yl]anilino]phenyl]ethanone
CID 70825711
1-cyclobutyl-6-(oxan-4-yloxy)-2-[4-(3-phenylpropylamino)phenyl]indol-3-amine
CID 70826107
1-[4-[3-amino-6-(3-aminopyrazin-2-yl)oxy-1-cyclobutylindol-2-yl]phenyl]pyrrolidin-2-one
CID 71177536
N-[4-(3-cyano-1-cyclobutyl-6-piperidin-1-ylindol-2-yl)phenyl]cyclopropanesulfonamide
CID 59426243
oxolan-3-yl N-[4-(3-amino-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]carbamate
CID 70805428

Frequently Asked Questions

What is the IUPAC name of 1-cyclobutyl-2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-6-morpholin-4-ylindol-3-amine?
The IUPAC name of 1-cyclobutyl-2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-6-morpholin-4-ylindol-3-amine (CID 70859441) is 1-cyclobutyl-2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-6-morpholin-4-ylindol-3-amine.
What is the SMILES notation for 1-cyclobutyl-2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-6-morpholin-4-ylindol-3-amine?
The canonical SMILES for 1-cyclobutyl-2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-6-morpholin-4-ylindol-3-amine is Nc1c(-c2ccc(N3CCCS3(=O)=O)cc2)n(C2CCC2)c2cc(N3CCOCC3)ccc12.
What is the InChIKey of 1-cyclobutyl-2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-6-morpholin-4-ylindol-3-amine?
The InChIKey is IPWOIWINIVEIGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N4O3S/c26-24-22-10-9-21(27-12-14-32-15-13-27)17-23(22)29(20-3-1-4-20)25(24)18-5-7-19(8-6-18)28-11-2-16-33(28,30)31/h5-10,17,20H,1-4,11-16,26H2.
What are the key properties of 1-cyclobutyl-2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-6-morpholin-4-ylindol-3-amine?
1-cyclobutyl-2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-6-morpholin-4-ylindol-3-amine has a molecular weight of 466.61 g/mol, XLogP of 3.99, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutyl-2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-6-morpholin-4-ylindol-3-amine is sourced from PubChem (CID 70859441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).