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

C9H16N2S2 — CID 104579189

IUPACN-(2-methylsulfanylethyl)-1-(4-methyl-1,3-thiazol-2-yl)ethanamine
SMILESCSCCNC(C)c1nc(C)cs1
InChIInChI=1S/C9H16N2S2/c1-7-6-13-9(11-7)8(2)10-4-5-12-3/h6,8,10H,4-5H2,1-3H3
InChIKeyYALZCYCVJVQHMR-UHFFFAOYSA-N
MW216.37 g/mol
LogP2.47
Rot. Bonds5

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

N-(2-methylsulfanylethyl)-1-(4-methyl-1,3-thiazol-2-yl)ethanamine (PubChem CID 104579189) has the molecular formula C9H16N2S2 and a molecular weight of 216.37 g/mol. Its IUPAC name is N-(2-methylsulfanylethyl)-1-(4-methyl-1,3-thiazol-2-yl)ethanamine.

Molecular Properties

Compound NameN-(2-methylsulfanylethyl)-1-(4-methyl-1,3-thiazol-2-yl)ethanamine
PubChem CID104579189
Molecular FormulaC9H16N2S2
Molecular Weight216.37 g/mol
Exact Mass216.08
IUPAC NameN-(2-methylsulfanylethyl)-1-(4-methyl-1,3-thiazol-2-yl)ethanamine
SMILESCSCCNC(C)c1nc(C)cs1
InChIInChI=1S/C9H16N2S2/c1-7-6-13-9(11-7)8(2)10-4-5-12-3/h6,8,10H,4-5H2,1-3H3
InChIKeyYALZCYCVJVQHMR-UHFFFAOYSA-N
XLogP2.47
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.37
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-Isopropyl-4-(N-methyl)amino-methyl thiazole
CID 10749687
4-Methyl-2-thiazoleethanethioamide
CID 4962476
(4-Methyl-1,3-thiazol-2-yl)methanamine
CID 4667189
2-(4-Methyl-1,3-thiazol-2-yl)ethan-1-amine
CID 3422636
Methyl((4-methyl-1,3-thiazol-2-yl)methyl)amine
CID 3928654
1-((2-Methyl-1,3-thiazol-4-yl)methyl)piperazine
CID 16227460
[(2-Ethyl-1,3-thiazol-4-yl)methyl](methyl)amine
CID 16494968
Methyl[(2-methyl-1,3-thiazol-4-yl)methyl]amine
CID 18939489
1-[(2-Methyl-1,3-thiazol-4-yl)methyl]-1,4-diazepane
CID 28781808
1-(4-Tert-butyl-1,3-thiazol-2-yl)ethan-1-amine
CID 4016996
Methyl(2-(4-methyl-1,3-thiazol-2-yl)ethyl)amine
CID 4407731
1-(4-Methyl-1,3-thiazol-2-yl)ethan-1-amine
CID 4558721

Frequently Asked Questions

What is the IUPAC name of N-(2-methylsulfanylethyl)-1-(4-methyl-1,3-thiazol-2-yl)ethanamine?
The IUPAC name of N-(2-methylsulfanylethyl)-1-(4-methyl-1,3-thiazol-2-yl)ethanamine (CID 104579189) is N-(2-methylsulfanylethyl)-1-(4-methyl-1,3-thiazol-2-yl)ethanamine.
What is the SMILES notation for N-(2-methylsulfanylethyl)-1-(4-methyl-1,3-thiazol-2-yl)ethanamine?
The canonical SMILES for N-(2-methylsulfanylethyl)-1-(4-methyl-1,3-thiazol-2-yl)ethanamine is CSCCNC(C)c1nc(C)cs1.
What is the InChIKey of N-(2-methylsulfanylethyl)-1-(4-methyl-1,3-thiazol-2-yl)ethanamine?
The InChIKey is YALZCYCVJVQHMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2S2/c1-7-6-13-9(11-7)8(2)10-4-5-12-3/h6,8,10H,4-5H2,1-3H3.
What are the key properties of N-(2-methylsulfanylethyl)-1-(4-methyl-1,3-thiazol-2-yl)ethanamine?
N-(2-methylsulfanylethyl)-1-(4-methyl-1,3-thiazol-2-yl)ethanamine has a molecular weight of 216.37 g/mol, XLogP of 2.47, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylsulfanylethyl)-1-(4-methyl-1,3-thiazol-2-yl)ethanamine is sourced from PubChem (CID 104579189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).