N-methyl-3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-5-(1,3-thiazol-4-yl)-1,2-dihydroindol-3-amine

C18H24N4S — CID 166138442

IUPACN-methyl-3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-5-(1,3-thiazol-4-yl)-1,2-dihydroindol-3-amine
SMILESCNC1(C[C@H]2CCCN2C)CNc2ccc(-c3cscn3)cc21
InChIInChI=1S/C18H24N4S/c1-19-18(9-14-4-3-7-22(14)2)11-20-16-6-5-13(8-15(16)18)17-10-23-12-21-17/h5-6,8,10,12,14,19-20H,3-4,7,9,11H2,1-2H3/t14-,18?/m1/s1
InChIKeyZHJIOMICBHJTDP-IKJXHCRLSA-N
MW328.49 g/mol
LogP3.13
Rot. Bonds4

About N-methyl-3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-5-(1,3-thiazol-4-yl)-1,2-dihydroindol-3-amine

N-methyl-3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-5-(1,3-thiazol-4-yl)-1,2-dihydroindol-3-amine (PubChem CID 166138442) has the molecular formula C18H24N4S and a molecular weight of 328.49 g/mol. Its IUPAC name is N-methyl-3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-5-(1,3-thiazol-4-yl)-1,2-dihydroindol-3-amine.

Molecular Properties

Compound NameN-methyl-3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-5-(1,3-thiazol-4-yl)-1,2-dihydroindol-3-amine
PubChem CID166138442
Molecular FormulaC18H24N4S
Molecular Weight328.49 g/mol
Exact Mass328.17
IUPAC NameN-methyl-3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-5-(1,3-thiazol-4-yl)-1,2-dihydroindol-3-amine
SMILESCNC1(C[C@H]2CCCN2C)CNc2ccc(-c3cscn3)cc21
InChIInChI=1S/C18H24N4S/c1-19-18(9-14-4-3-7-22(14)2)11-20-16-6-5-13(8-15(16)18)17-10-23-12-21-17/h5-6,8,10,12,14,19-20H,3-4,7,9,11H2,1-2H3/t14-,18?/m1/s1
InChIKeyZHJIOMICBHJTDP-IKJXHCRLSA-N
XLogP3.13
TPSA40.19 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.49
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-5-(1,3-thiazol-4-yl)-1,2-dihydroindol-3-amine?
The IUPAC name of N-methyl-3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-5-(1,3-thiazol-4-yl)-1,2-dihydroindol-3-amine (CID 166138442) is N-methyl-3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-5-(1,3-thiazol-4-yl)-1,2-dihydroindol-3-amine.
What is the SMILES notation for N-methyl-3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-5-(1,3-thiazol-4-yl)-1,2-dihydroindol-3-amine?
The canonical SMILES for N-methyl-3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-5-(1,3-thiazol-4-yl)-1,2-dihydroindol-3-amine is CNC1(C[C@H]2CCCN2C)CNc2ccc(-c3cscn3)cc21.
What is the InChIKey of N-methyl-3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-5-(1,3-thiazol-4-yl)-1,2-dihydroindol-3-amine?
The InChIKey is ZHJIOMICBHJTDP-IKJXHCRLSA-N. The full InChI is InChI=1S/C18H24N4S/c1-19-18(9-14-4-3-7-22(14)2)11-20-16-6-5-13(8-15(16)18)17-10-23-12-21-17/h5-6,8,10,12,14,19-20H,3-4,7,9,11H2,1-2H3/t14-,18?/m1/s1.
What are the key properties of N-methyl-3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-5-(1,3-thiazol-4-yl)-1,2-dihydroindol-3-amine?
N-methyl-3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-5-(1,3-thiazol-4-yl)-1,2-dihydroindol-3-amine has a molecular weight of 328.49 g/mol, XLogP of 3.13, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-5-(1,3-thiazol-4-yl)-1,2-dihydroindol-3-amine is sourced from PubChem (CID 166138442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).