N-methyl-2-(1-methylindazol-3-yl)-1-(4-methyl-1,3-thiazol-5-yl)ethanamine

C15H18N4S — CID 105161454

IUPACN-methyl-2-(1-methylindazol-3-yl)-1-(4-methyl-1,3-thiazol-5-yl)ethanamine
SMILESCNC(Cc1nn(C)c2ccccc12)c1scnc1C
InChIInChI=1S/C15H18N4S/c1-10-15(20-9-17-10)13(16-2)8-12-11-6-4-5-7-14(11)19(3)18-12/h4-7,9,13,16H,8H2,1-3H3
InChIKeyFBABEDGGRIUIOO-UHFFFAOYSA-N
MW286.40 g/mol
LogP2.84
Rot. Bonds4

About N-methyl-2-(1-methylindazol-3-yl)-1-(4-methyl-1,3-thiazol-5-yl)ethanamine

N-methyl-2-(1-methylindazol-3-yl)-1-(4-methyl-1,3-thiazol-5-yl)ethanamine (PubChem CID 105161454) has the molecular formula C15H18N4S and a molecular weight of 286.40 g/mol. Its IUPAC name is N-methyl-2-(1-methylindazol-3-yl)-1-(4-methyl-1,3-thiazol-5-yl)ethanamine.

Molecular Properties

Compound NameN-methyl-2-(1-methylindazol-3-yl)-1-(4-methyl-1,3-thiazol-5-yl)ethanamine
PubChem CID105161454
Molecular FormulaC15H18N4S
Molecular Weight286.40 g/mol
Exact Mass286.13
IUPAC NameN-methyl-2-(1-methylindazol-3-yl)-1-(4-methyl-1,3-thiazol-5-yl)ethanamine
SMILESCNC(Cc1nn(C)c2ccccc12)c1scnc1C
InChIInChI=1S/C15H18N4S/c1-10-15(20-9-17-10)13(16-2)8-12-11-6-4-5-7-14(11)19(3)18-12/h4-7,9,13,16H,8H2,1-3H3
InChIKeyFBABEDGGRIUIOO-UHFFFAOYSA-N
XLogP2.84
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-1-(1-methylimidazol-4-yl)-2-(1-methylindazol-3-yl)ethanamine
CID 107976079
2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-N-methyl-1-(4-methyl-1,3-thiazol-5-yl)ethanamine
CID 105157639
1-(2-chlorofuran-3-yl)-N-methyl-2-(1-methylindazol-3-yl)ethanamine
CID 106692423
2-(4-bromo-1,3-dimethylpyrazol-5-yl)-N-methyl-1-(4-methyl-1,3-thiazol-5-yl)ethanamine
CID 105161053
N-methyl-1-(4-methyl-1,3-thiazol-5-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethanamine
CID 105154961
[2-(1-methylindazol-3-yl)-1-(2-methylpyrimidin-4-yl)ethyl]hydrazine
CID 105260499
[2-(1-methylindazol-3-yl)-1-(4-methyl-2-pyridinyl)ethyl]hydrazine
CID 105219973
N,3,3-trimethyl-2-[(1-methylindazol-3-yl)methyl]butan-1-amine
CID 83139294
N-methyl-1-(1-methylindazol-3-yl)-3-methylsulfonylbutan-2-amine
CID 105001238
N,4-dimethyl-1-(1-methylindazol-3-yl)hexan-2-amine
CID 105001190
N-methyl-1-(1-methylindazol-3-yl)methanamine;hydrochloride
CID 131083250
[1-(5-bromothiophen-2-yl)-2-(1-methylindazol-3-yl)ethyl]hydrazine
CID 105222148

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(1-methylindazol-3-yl)-1-(4-methyl-1,3-thiazol-5-yl)ethanamine?
The IUPAC name of N-methyl-2-(1-methylindazol-3-yl)-1-(4-methyl-1,3-thiazol-5-yl)ethanamine (CID 105161454) is N-methyl-2-(1-methylindazol-3-yl)-1-(4-methyl-1,3-thiazol-5-yl)ethanamine.
What is the SMILES notation for N-methyl-2-(1-methylindazol-3-yl)-1-(4-methyl-1,3-thiazol-5-yl)ethanamine?
The canonical SMILES for N-methyl-2-(1-methylindazol-3-yl)-1-(4-methyl-1,3-thiazol-5-yl)ethanamine is CNC(Cc1nn(C)c2ccccc12)c1scnc1C.
What is the InChIKey of N-methyl-2-(1-methylindazol-3-yl)-1-(4-methyl-1,3-thiazol-5-yl)ethanamine?
The InChIKey is FBABEDGGRIUIOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4S/c1-10-15(20-9-17-10)13(16-2)8-12-11-6-4-5-7-14(11)19(3)18-12/h4-7,9,13,16H,8H2,1-3H3.
What are the key properties of N-methyl-2-(1-methylindazol-3-yl)-1-(4-methyl-1,3-thiazol-5-yl)ethanamine?
N-methyl-2-(1-methylindazol-3-yl)-1-(4-methyl-1,3-thiazol-5-yl)ethanamine has a molecular weight of 286.40 g/mol, XLogP of 2.84, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(1-methylindazol-3-yl)-1-(4-methyl-1,3-thiazol-5-yl)ethanamine is sourced from PubChem (CID 105161454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).