1-(1H-indol-6-yl)-N-methyl-N-[[2-(oxolan-2-yl)-1,3-thiazol-4-yl]methyl]methanamine

C18H21N3OS — CID 166251090

IUPAC1-(1H-indol-6-yl)-N-methyl-N-[[2-(oxolan-2-yl)-1,3-thiazol-4-yl]methyl]methanamine
SMILESCN(Cc1ccc2cc[nH]c2c1)Cc1csc(C2CCCO2)n1
InChIInChI=1S/C18H21N3OS/c1-21(10-13-4-5-14-6-7-19-16(14)9-13)11-15-12-23-18(20-15)17-3-2-8-22-17/h4-7,9,12,17,19H,2-3,8,10-11H2,1H3
InChIKeyNLSAYUUAXAETAM-UHFFFAOYSA-N
MW327.45 g/mol
LogP4.11
Rot. Bonds5

About 1-(1H-indol-6-yl)-N-methyl-N-[[2-(oxolan-2-yl)-1,3-thiazol-4-yl]methyl]methanamine

1-(1H-indol-6-yl)-N-methyl-N-[[2-(oxolan-2-yl)-1,3-thiazol-4-yl]methyl]methanamine (PubChem CID 166251090) has the molecular formula C18H21N3OS and a molecular weight of 327.45 g/mol. Its IUPAC name is 1-(1H-indol-6-yl)-N-methyl-N-[[2-(oxolan-2-yl)-1,3-thiazol-4-yl]methyl]methanamine.

Molecular Properties

Compound Name1-(1H-indol-6-yl)-N-methyl-N-[[2-(oxolan-2-yl)-1,3-thiazol-4-yl]methyl]methanamine
PubChem CID166251090
Molecular FormulaC18H21N3OS
Molecular Weight327.45 g/mol
Exact Mass327.14
IUPAC Name1-(1H-indol-6-yl)-N-methyl-N-[[2-(oxolan-2-yl)-1,3-thiazol-4-yl]methyl]methanamine
SMILESCN(Cc1ccc2cc[nH]c2c1)Cc1csc(C2CCCO2)n1
InChIInChI=1S/C18H21N3OS/c1-21(10-13-4-5-14-6-7-19-16(14)9-13)11-15-12-23-18(20-15)17-3-2-8-22-17/h4-7,9,12,17,19H,2-3,8,10-11H2,1H3
InChIKeyNLSAYUUAXAETAM-UHFFFAOYSA-N
XLogP4.11
TPSA41.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.45
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(1H-indol-6-yl)-N-methyl-N-[[2-(oxolan-2-yl)-1,3-thiazol-4-yl]methyl]methanamine?
The IUPAC name of 1-(1H-indol-6-yl)-N-methyl-N-[[2-(oxolan-2-yl)-1,3-thiazol-4-yl]methyl]methanamine (CID 166251090) is 1-(1H-indol-6-yl)-N-methyl-N-[[2-(oxolan-2-yl)-1,3-thiazol-4-yl]methyl]methanamine.
What is the SMILES notation for 1-(1H-indol-6-yl)-N-methyl-N-[[2-(oxolan-2-yl)-1,3-thiazol-4-yl]methyl]methanamine?
The canonical SMILES for 1-(1H-indol-6-yl)-N-methyl-N-[[2-(oxolan-2-yl)-1,3-thiazol-4-yl]methyl]methanamine is CN(Cc1ccc2cc[nH]c2c1)Cc1csc(C2CCCO2)n1.
What is the InChIKey of 1-(1H-indol-6-yl)-N-methyl-N-[[2-(oxolan-2-yl)-1,3-thiazol-4-yl]methyl]methanamine?
The InChIKey is NLSAYUUAXAETAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3OS/c1-21(10-13-4-5-14-6-7-19-16(14)9-13)11-15-12-23-18(20-15)17-3-2-8-22-17/h4-7,9,12,17,19H,2-3,8,10-11H2,1H3.
What are the key properties of 1-(1H-indol-6-yl)-N-methyl-N-[[2-(oxolan-2-yl)-1,3-thiazol-4-yl]methyl]methanamine?
1-(1H-indol-6-yl)-N-methyl-N-[[2-(oxolan-2-yl)-1,3-thiazol-4-yl]methyl]methanamine has a molecular weight of 327.45 g/mol, XLogP of 4.11, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-indol-6-yl)-N-methyl-N-[[2-(oxolan-2-yl)-1,3-thiazol-4-yl]methyl]methanamine is sourced from PubChem (CID 166251090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).