N-(2-methylsulfanylethyl)-1-(1,3-thiazol-5-yl)ethanamine

C8H14N2S2 — CID 115706170

IUPACN-(2-methylsulfanylethyl)-1-(1,3-thiazol-5-yl)ethanamine
SMILESCSCCNC(C)c1cncs1
InChIInChI=1S/C8H14N2S2/c1-7(10-3-4-11-2)8-5-9-6-12-8/h5-7,10H,3-4H2,1-2H3
InChIKeyQWCGKXIXEQPWRY-UHFFFAOYSA-N
MW202.35 g/mol
LogP2.16
Rot. Bonds5

About N-(2-methylsulfanylethyl)-1-(1,3-thiazol-5-yl)ethanamine

N-(2-methylsulfanylethyl)-1-(1,3-thiazol-5-yl)ethanamine (PubChem CID 115706170) has the molecular formula C8H14N2S2 and a molecular weight of 202.35 g/mol. Its IUPAC name is N-(2-methylsulfanylethyl)-1-(1,3-thiazol-5-yl)ethanamine.

Molecular Properties

Compound NameN-(2-methylsulfanylethyl)-1-(1,3-thiazol-5-yl)ethanamine
PubChem CID115706170
Molecular FormulaC8H14N2S2
Molecular Weight202.35 g/mol
Exact Mass202.06
IUPAC NameN-(2-methylsulfanylethyl)-1-(1,3-thiazol-5-yl)ethanamine
SMILESCSCCNC(C)c1cncs1
InChIInChI=1S/C8H14N2S2/c1-7(10-3-4-11-2)8-5-9-6-12-8/h5-7,10H,3-4H2,1-2H3
InChIKeyQWCGKXIXEQPWRY-UHFFFAOYSA-N
XLogP2.16
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.35
LogP ≤ 52.16
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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Frequently Asked Questions

What is the IUPAC name of N-(2-methylsulfanylethyl)-1-(1,3-thiazol-5-yl)ethanamine?
The IUPAC name of N-(2-methylsulfanylethyl)-1-(1,3-thiazol-5-yl)ethanamine (CID 115706170) is N-(2-methylsulfanylethyl)-1-(1,3-thiazol-5-yl)ethanamine.
What is the SMILES notation for N-(2-methylsulfanylethyl)-1-(1,3-thiazol-5-yl)ethanamine?
The canonical SMILES for N-(2-methylsulfanylethyl)-1-(1,3-thiazol-5-yl)ethanamine is CSCCNC(C)c1cncs1.
What is the InChIKey of N-(2-methylsulfanylethyl)-1-(1,3-thiazol-5-yl)ethanamine?
The InChIKey is QWCGKXIXEQPWRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2S2/c1-7(10-3-4-11-2)8-5-9-6-12-8/h5-7,10H,3-4H2,1-2H3.
What are the key properties of N-(2-methylsulfanylethyl)-1-(1,3-thiazol-5-yl)ethanamine?
N-(2-methylsulfanylethyl)-1-(1,3-thiazol-5-yl)ethanamine has a molecular weight of 202.35 g/mol, XLogP of 2.16, 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-(1,3-thiazol-5-yl)ethanamine is sourced from PubChem (CID 115706170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).