N,N-diethyl-2-(2-methyl-[1,3]thiazolo[5,4-b]indol-4-yl)ethanamine

C16H21N3S — CID 664312

IUPACN,N-diethyl-2-(2-methyl-[1,3]thiazolo[5,4-b]indol-4-yl)ethanamine
SMILESCCN(CC)CCn1c2ccccc2c2nc(C)sc21
InChIInChI=1S/C16H21N3S/c1-4-18(5-2)10-11-19-14-9-7-6-8-13(14)15-16(19)20-12(3)17-15/h6-9H,4-5,10-11H2,1-3H3
InChIKeyMKWNXTOAYQUENM-UHFFFAOYSA-N
MW287.43 g/mol
LogP3.90
Rot. Bonds5

About N,N-diethyl-2-(2-methyl-[1,3]thiazolo[5,4-b]indol-4-yl)ethanamine

N,N-diethyl-2-(2-methyl-[1,3]thiazolo[5,4-b]indol-4-yl)ethanamine (PubChem CID 664312) has the molecular formula C16H21N3S and a molecular weight of 287.43 g/mol. Its IUPAC name is N,N-diethyl-2-(2-methyl-[1,3]thiazolo[5,4-b]indol-4-yl)ethanamine.

Molecular Properties

Compound NameN,N-diethyl-2-(2-methyl-[1,3]thiazolo[5,4-b]indol-4-yl)ethanamine
PubChem CID664312
Molecular FormulaC16H21N3S
Molecular Weight287.43 g/mol
Exact Mass287.15
IUPAC NameN,N-diethyl-2-(2-methyl-[1,3]thiazolo[5,4-b]indol-4-yl)ethanamine
SMILESCCN(CC)CCn1c2ccccc2c2nc(C)sc21
InChIInChI=1S/C16H21N3S/c1-4-18(5-2)10-11-19-14-9-7-6-8-13(14)15-16(19)20-12(3)17-15/h6-9H,4-5,10-11H2,1-3H3
InChIKeyMKWNXTOAYQUENM-UHFFFAOYSA-N
XLogP3.90
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.43
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-(2-methyl-[1,3]thiazolo[5,4-b]indol-4-yl)ethanamine?
The IUPAC name of N,N-diethyl-2-(2-methyl-[1,3]thiazolo[5,4-b]indol-4-yl)ethanamine (CID 664312) is N,N-diethyl-2-(2-methyl-[1,3]thiazolo[5,4-b]indol-4-yl)ethanamine.
What is the SMILES notation for N,N-diethyl-2-(2-methyl-[1,3]thiazolo[5,4-b]indol-4-yl)ethanamine?
The canonical SMILES for N,N-diethyl-2-(2-methyl-[1,3]thiazolo[5,4-b]indol-4-yl)ethanamine is CCN(CC)CCn1c2ccccc2c2nc(C)sc21.
What is the InChIKey of N,N-diethyl-2-(2-methyl-[1,3]thiazolo[5,4-b]indol-4-yl)ethanamine?
The InChIKey is MKWNXTOAYQUENM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3S/c1-4-18(5-2)10-11-19-14-9-7-6-8-13(14)15-16(19)20-12(3)17-15/h6-9H,4-5,10-11H2,1-3H3.
What are the key properties of N,N-diethyl-2-(2-methyl-[1,3]thiazolo[5,4-b]indol-4-yl)ethanamine?
N,N-diethyl-2-(2-methyl-[1,3]thiazolo[5,4-b]indol-4-yl)ethanamine has a molecular weight of 287.43 g/mol, XLogP of 3.90, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-(2-methyl-[1,3]thiazolo[5,4-b]indol-4-yl)ethanamine is sourced from PubChem (CID 664312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).