4-[3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-2,3-dihydro-1H-indol-5-yl]-1,2-thiazole

C17H21N3S — CID 169244402

IUPAC4-[3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-2,3-dihydro-1H-indol-5-yl]-1,2-thiazole
SMILESCN1CCC[C@@H]1CC1CNc2ccc(-c3cnsc3)cc21
InChIInChI=1S/C17H21N3S/c1-20-6-2-3-15(20)7-13-9-18-17-5-4-12(8-16(13)17)14-10-19-21-11-14/h4-5,8,10-11,13,15,18H,2-3,6-7,9H2,1H3/t13?,15-/m1/s1
InChIKeyJJROXFIQNBARHE-AWKYBWMHSA-N
MW299.44 g/mol
LogP3.80
Rot. Bonds3

About 4-[3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-2,3-dihydro-1H-indol-5-yl]-1,2-thiazole

4-[3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-2,3-dihydro-1H-indol-5-yl]-1,2-thiazole (PubChem CID 169244402) has the molecular formula C17H21N3S and a molecular weight of 299.44 g/mol. Its IUPAC name is 4-[3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-2,3-dihydro-1H-indol-5-yl]-1,2-thiazole.

Molecular Properties

Compound Name4-[3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-2,3-dihydro-1H-indol-5-yl]-1,2-thiazole
PubChem CID169244402
Molecular FormulaC17H21N3S
Molecular Weight299.44 g/mol
Exact Mass299.15
IUPAC Name4-[3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-2,3-dihydro-1H-indol-5-yl]-1,2-thiazole
SMILESCN1CCC[C@@H]1CC1CNc2ccc(-c3cnsc3)cc21
InChIInChI=1S/C17H21N3S/c1-20-6-2-3-15(20)7-13-9-18-17-5-4-12(8-16(13)17)14-10-19-21-11-14/h4-5,8,10-11,13,15,18H,2-3,6-7,9H2,1H3/t13?,15-/m1/s1
InChIKeyJJROXFIQNBARHE-AWKYBWMHSA-N
XLogP3.80
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.44
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-[3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-2,3-dihydro-1H-indol-5-yl]-1,2-thiazole with MolForge

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Related Compounds

(3S)-5-fluoro-3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-2,3-dihydro-1H-indole
CID 169244473
(3R)-3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-5-propan-2-yl-2,3-dihydro-1H-indole
CID 169244389
5-(2-methoxyethoxy)-3-[(1-methylpyrrolidin-2-yl)methyl]-2,3-dihydro-1H-indole
CID 169244438
methylidene-[[3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-2,3-dihydro-1H-indol-5-yl]oxy]-λ3-iodane
CID 169244522
5-(cyclopropylmethoxy)-3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-2,3-dihydro-1H-indole;molecular hydrogen
CID 169244365
3-[(1-methylpyrrolidin-2-yl)methyl]-5-(oxan-4-yloxy)-2,3-dihydro-1H-indole
CID 169244525
3-[(1-methylpyrrolidin-2-yl)methyl]-2,3-dihydro-1H-indol-4-ol
CID 78358010
(2R)-1-methyl-2-[[(3R)-5-thiophen-3-yl-2,3-dihydro-1-benzothiophen-3-yl]methyl]pyrrolidine
CID 178102520
(3R)-5-methoxy-3-[[(2R)-1-propan-2-ylpyrrolidin-2-yl]methyl]-2,3-dihydro-1H-indole
CID 169244502
3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-5-(1,3-thiazol-4-yl)-2,3-dihydro-1-benzothiophene 1,1-dioxide
CID 178102599
2-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-1-methylpyrrolidine
CID 178102510
N,N-dimethyl-2-(5-pyridin-3-yl-2,3-dihydro-1H-indol-3-yl)ethanamine
CID 169244304

Frequently Asked Questions

What is the IUPAC name of 4-[3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-2,3-dihydro-1H-indol-5-yl]-1,2-thiazole?
The IUPAC name of 4-[3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-2,3-dihydro-1H-indol-5-yl]-1,2-thiazole (CID 169244402) is 4-[3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-2,3-dihydro-1H-indol-5-yl]-1,2-thiazole.
What is the SMILES notation for 4-[3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-2,3-dihydro-1H-indol-5-yl]-1,2-thiazole?
The canonical SMILES for 4-[3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-2,3-dihydro-1H-indol-5-yl]-1,2-thiazole is CN1CCC[C@@H]1CC1CNc2ccc(-c3cnsc3)cc21.
What is the InChIKey of 4-[3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-2,3-dihydro-1H-indol-5-yl]-1,2-thiazole?
The InChIKey is JJROXFIQNBARHE-AWKYBWMHSA-N. The full InChI is InChI=1S/C17H21N3S/c1-20-6-2-3-15(20)7-13-9-18-17-5-4-12(8-16(13)17)14-10-19-21-11-14/h4-5,8,10-11,13,15,18H,2-3,6-7,9H2,1H3/t13?,15-/m1/s1.
What are the key properties of 4-[3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-2,3-dihydro-1H-indol-5-yl]-1,2-thiazole?
4-[3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-2,3-dihydro-1H-indol-5-yl]-1,2-thiazole has a molecular weight of 299.44 g/mol, XLogP of 3.80, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-2,3-dihydro-1H-indol-5-yl]-1,2-thiazole is sourced from PubChem (CID 169244402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).