N-[[2-(aminomethyl)-1,3-thiazol-4-yl]methyl]-N-methyl-2-thiophen-2-ylethanamine

C12H17N3S2 — CID 79494155

IUPACN-[[2-(aminomethyl)-1,3-thiazol-4-yl]methyl]-N-methyl-2-thiophen-2-ylethanamine
SMILESCN(CCc1cccs1)Cc1csc(CN)n1
InChIInChI=1S/C12H17N3S2/c1-15(5-4-11-3-2-6-16-11)8-10-9-17-12(7-13)14-10/h2-3,6,9H,4-5,7-8,13H2,1H3
InChIKeyRTIOEIXJTQFYDD-UHFFFAOYSA-N
MW267.42 g/mol
LogP2.34
Rot. Bonds6

About N-[[2-(aminomethyl)-1,3-thiazol-4-yl]methyl]-N-methyl-2-thiophen-2-ylethanamine

N-[[2-(aminomethyl)-1,3-thiazol-4-yl]methyl]-N-methyl-2-thiophen-2-ylethanamine (PubChem CID 79494155) has the molecular formula C12H17N3S2 and a molecular weight of 267.42 g/mol. Its IUPAC name is N-[[2-(aminomethyl)-1,3-thiazol-4-yl]methyl]-N-methyl-2-thiophen-2-ylethanamine.

Molecular Properties

Compound NameN-[[2-(aminomethyl)-1,3-thiazol-4-yl]methyl]-N-methyl-2-thiophen-2-ylethanamine
PubChem CID79494155
Molecular FormulaC12H17N3S2
Molecular Weight267.42 g/mol
Exact Mass267.09
IUPAC NameN-[[2-(aminomethyl)-1,3-thiazol-4-yl]methyl]-N-methyl-2-thiophen-2-ylethanamine
SMILESCN(CCc1cccs1)Cc1csc(CN)n1
InChIInChI=1S/C12H17N3S2/c1-15(5-4-11-3-2-6-16-11)8-10-9-17-12(7-13)14-10/h2-3,6,9H,4-5,7-8,13H2,1H3
InChIKeyRTIOEIXJTQFYDD-UHFFFAOYSA-N
XLogP2.34
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.42
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-[[methyl(thiophen-2-ylmethyl)amino]methyl]-1,3-thiazol-2-yl]ethanamine
CID 66389599
2-[4-[[methyl(2-phenylethyl)amino]methyl]-1,3-thiazol-2-yl]ethanamine
CID 66386882
N-[(6-chloropyridazin-3-yl)methyl]-N-methyl-2-thiophen-2-ylethanamine
CID 104513788
2-methyl-N-[[4-[[methyl(thiophen-2-ylmethyl)amino]methyl]-1,3-thiazol-2-yl]methyl]propan-1-amine
CID 62422465
N'-methyl-N'-(2-thiophen-2-ylethyl)heptane-1,7-diamine
CID 79488346
N'-methyl-N'-(2-thiophen-2-ylethyl)but-2-ene-1,4-diamine
CID 79476445
2-[[methyl(2-thiophen-2-ylethyl)amino]methyl]aniline
CID 63774945
4-(chloromethyl)-N-methyl-N-(2-thiophen-2-ylethyl)-1,3-thiazol-2-amine
CID 79486566
N-[[2-(2-aminoethyl)-1,3-thiazol-4-yl]methyl]-3,3,3-trifluoro-N-methylpropan-1-amine
CID 66387083
N-[[2-(aminomethyl)-1,3-thiazol-4-yl]methyl]-N,2-dimethylbutan-1-amine
CID 62421129
2-[[methyl(2-thiophen-2-ylethyl)amino]methyl]pyridin-3-amine
CID 113447468
1-N-methyl-3-phenyl-1-N-(2-thiophen-2-ylethyl)propane-1,2-diamine
CID 79487965

Frequently Asked Questions

What is the IUPAC name of N-[[2-(aminomethyl)-1,3-thiazol-4-yl]methyl]-N-methyl-2-thiophen-2-ylethanamine?
The IUPAC name of N-[[2-(aminomethyl)-1,3-thiazol-4-yl]methyl]-N-methyl-2-thiophen-2-ylethanamine (CID 79494155) is N-[[2-(aminomethyl)-1,3-thiazol-4-yl]methyl]-N-methyl-2-thiophen-2-ylethanamine.
What is the SMILES notation for N-[[2-(aminomethyl)-1,3-thiazol-4-yl]methyl]-N-methyl-2-thiophen-2-ylethanamine?
The canonical SMILES for N-[[2-(aminomethyl)-1,3-thiazol-4-yl]methyl]-N-methyl-2-thiophen-2-ylethanamine is CN(CCc1cccs1)Cc1csc(CN)n1.
What is the InChIKey of N-[[2-(aminomethyl)-1,3-thiazol-4-yl]methyl]-N-methyl-2-thiophen-2-ylethanamine?
The InChIKey is RTIOEIXJTQFYDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3S2/c1-15(5-4-11-3-2-6-16-11)8-10-9-17-12(7-13)14-10/h2-3,6,9H,4-5,7-8,13H2,1H3.
What are the key properties of N-[[2-(aminomethyl)-1,3-thiazol-4-yl]methyl]-N-methyl-2-thiophen-2-ylethanamine?
N-[[2-(aminomethyl)-1,3-thiazol-4-yl]methyl]-N-methyl-2-thiophen-2-ylethanamine has a molecular weight of 267.42 g/mol, XLogP of 2.34, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(aminomethyl)-1,3-thiazol-4-yl]methyl]-N-methyl-2-thiophen-2-ylethanamine is sourced from PubChem (CID 79494155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).