N-[(1,3-dimethylindol-2-yl)methyl]-1-(1,3-thiazol-2-yl)ethanamine

C16H19N3S — CID 107235763

IUPACN-[(1,3-dimethylindol-2-yl)methyl]-1-(1,3-thiazol-2-yl)ethanamine
SMILESCc1c(CNC(C)c2nccs2)n(C)c2ccccc12
InChIInChI=1S/C16H19N3S/c1-11-13-6-4-5-7-14(13)19(3)15(11)10-18-12(2)16-17-8-9-20-16/h4-9,12,18H,10H2,1-3H3
InChIKeyMGPIQGGVOXCWFC-UHFFFAOYSA-N
MW285.42 g/mol
LogP3.79
Rot. Bonds4

About N-[(1,3-dimethylindol-2-yl)methyl]-1-(1,3-thiazol-2-yl)ethanamine

N-[(1,3-dimethylindol-2-yl)methyl]-1-(1,3-thiazol-2-yl)ethanamine (PubChem CID 107235763) has the molecular formula C16H19N3S and a molecular weight of 285.42 g/mol. Its IUPAC name is N-[(1,3-dimethylindol-2-yl)methyl]-1-(1,3-thiazol-2-yl)ethanamine.

Molecular Properties

Compound NameN-[(1,3-dimethylindol-2-yl)methyl]-1-(1,3-thiazol-2-yl)ethanamine
PubChem CID107235763
Molecular FormulaC16H19N3S
Molecular Weight285.42 g/mol
Exact Mass285.13
IUPAC NameN-[(1,3-dimethylindol-2-yl)methyl]-1-(1,3-thiazol-2-yl)ethanamine
SMILESCc1c(CNC(C)c2nccs2)n(C)c2ccccc12
InChIInChI=1S/C16H19N3S/c1-11-13-6-4-5-7-14(13)19(3)15(11)10-18-12(2)16-17-8-9-20-16/h4-9,12,18H,10H2,1-3H3
InChIKeyMGPIQGGVOXCWFC-UHFFFAOYSA-N
XLogP3.79
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.42
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

N-[(1,3-dimethylindol-2-yl)methyl]-1-(5-methylthiophen-2-yl)ethanamine
CID 107235503
N-[(1,3-dimethylindol-2-yl)methyl]-1-thiophen-2-ylpropan-1-amine
CID 107235513
2-[(1,3-dimethylindol-2-yl)methylamino]propane-1,3-diol
CID 107235824
(1R)-N-(pyridin-2-ylmethyl)-1-(1,3-thiazol-2-yl)ethanamine
CID 95366214
3-[(1,3-dimethylindol-2-yl)methylamino]-2-methylbutan-1-ol
CID 107236217
N-[(1,3-dimethylindol-2-yl)methyl]-4-methoxybutan-2-amine
CID 107235779
2-N-[(1,3-dimethylindol-2-yl)methyl]-1-N,1-N-diethylpropane-1,2-diamine
CID 107235585
1-(1,3-dimethylindol-2-yl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]methanamine
CID 107235680
(1R)-N-(pyridin-4-ylmethyl)-1-(1,3-thiazol-2-yl)ethanamine
CID 95366218
N-[(3,4-dimethylphenyl)methyl]-1-(1,3-thiazol-2-yl)ethanamine
CID 63599165
N-[2-(2-methylphenyl)ethyl]-1-(1,3-thiazol-2-yl)ethanamine
CID 79763407
N-[(5-methyl-2-pyridinyl)methyl]-1-(1,3-thiazol-2-yl)ethanamine
CID 80709978

Frequently Asked Questions

What is the IUPAC name of N-[(1,3-dimethylindol-2-yl)methyl]-1-(1,3-thiazol-2-yl)ethanamine?
The IUPAC name of N-[(1,3-dimethylindol-2-yl)methyl]-1-(1,3-thiazol-2-yl)ethanamine (CID 107235763) is N-[(1,3-dimethylindol-2-yl)methyl]-1-(1,3-thiazol-2-yl)ethanamine.
What is the SMILES notation for N-[(1,3-dimethylindol-2-yl)methyl]-1-(1,3-thiazol-2-yl)ethanamine?
The canonical SMILES for N-[(1,3-dimethylindol-2-yl)methyl]-1-(1,3-thiazol-2-yl)ethanamine is Cc1c(CNC(C)c2nccs2)n(C)c2ccccc12.
What is the InChIKey of N-[(1,3-dimethylindol-2-yl)methyl]-1-(1,3-thiazol-2-yl)ethanamine?
The InChIKey is MGPIQGGVOXCWFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3S/c1-11-13-6-4-5-7-14(13)19(3)15(11)10-18-12(2)16-17-8-9-20-16/h4-9,12,18H,10H2,1-3H3.
What are the key properties of N-[(1,3-dimethylindol-2-yl)methyl]-1-(1,3-thiazol-2-yl)ethanamine?
N-[(1,3-dimethylindol-2-yl)methyl]-1-(1,3-thiazol-2-yl)ethanamine has a molecular weight of 285.42 g/mol, XLogP of 3.79, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,3-dimethylindol-2-yl)methyl]-1-(1,3-thiazol-2-yl)ethanamine is sourced from PubChem (CID 107235763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).