N-methyl-2-[2-(thiolan-3-yl)-1,3-thiazol-5-yl]ethanamine

C10H16N2S2 — CID 115089835

IUPACN-methyl-2-[2-(thiolan-3-yl)-1,3-thiazol-5-yl]ethanamine
SMILESCNCCc1cnc(C2CCSC2)s1
InChIInChI=1S/C10H16N2S2/c1-11-4-2-9-6-12-10(14-9)8-3-5-13-7-8/h6,8,11H,2-5,7H2,1H3
InChIKeyKADYSUALDFXFFG-UHFFFAOYSA-N
MW228.39 g/mol
LogP2.13
Rot. Bonds4

About N-methyl-2-[2-(thiolan-3-yl)-1,3-thiazol-5-yl]ethanamine

N-methyl-2-[2-(thiolan-3-yl)-1,3-thiazol-5-yl]ethanamine (PubChem CID 115089835) has the molecular formula C10H16N2S2 and a molecular weight of 228.39 g/mol. Its IUPAC name is N-methyl-2-[2-(thiolan-3-yl)-1,3-thiazol-5-yl]ethanamine.

Molecular Properties

Compound NameN-methyl-2-[2-(thiolan-3-yl)-1,3-thiazol-5-yl]ethanamine
PubChem CID115089835
Molecular FormulaC10H16N2S2
Molecular Weight228.39 g/mol
Exact Mass228.08
IUPAC NameN-methyl-2-[2-(thiolan-3-yl)-1,3-thiazol-5-yl]ethanamine
SMILESCNCCc1cnc(C2CCSC2)s1
InChIInChI=1S/C10H16N2S2/c1-11-4-2-9-6-12-10(14-9)8-3-5-13-7-8/h6,8,11H,2-5,7H2,1H3
InChIKeyKADYSUALDFXFFG-UHFFFAOYSA-N
XLogP2.13
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.39
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-1-[2-(thiolan-3-yl)-1,3-thiazol-5-yl]propan-2-amine
CID 115089837
2-[2-(1,1-dioxothian-4-yl)-1,3-thiazol-5-yl]-N-methylethanamine
CID 115089963
N-methyl-2-(2-pyrrolidin-3-yl-1,3-thiazol-5-yl)ethanamine
CID 115089840
2-[2-(thiolan-3-yl)-1,3-thiazol-5-yl]acetaldehyde
CID 115089786
N-methyl-2-[2-(1-propan-2-ylpiperidin-4-yl)-1,3-thiazol-5-yl]ethanamine
CID 115089980
1-(2-cyclopentyl-1,3-thiazol-5-yl)-N-methylmethanamine
CID 61281926
[2-(thian-3-yl)-1,3-thiazol-5-yl]methanol
CID 115090327
5-chloro-2-(thiolan-3-yl)-1,3-thiazole
CID 117259063
N-methyl-2-[2-(thiolan-3-yl)-1,3-oxazol-4-yl]ethanamine
CID 115082088
1-[2-(thiolan-3-yl)-1,3-thiazol-5-yl]ethanol
CID 115089750
1-[2-(thiolan-3-yl)-1,3-thiazol-5-yl]ethanone
CID 115089759
2-[2-(fluoromethyl)-1,3-thiazol-5-yl]-N-methylethanamine
CID 84766700

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[2-(thiolan-3-yl)-1,3-thiazol-5-yl]ethanamine?
The IUPAC name of N-methyl-2-[2-(thiolan-3-yl)-1,3-thiazol-5-yl]ethanamine (CID 115089835) is N-methyl-2-[2-(thiolan-3-yl)-1,3-thiazol-5-yl]ethanamine.
What is the SMILES notation for N-methyl-2-[2-(thiolan-3-yl)-1,3-thiazol-5-yl]ethanamine?
The canonical SMILES for N-methyl-2-[2-(thiolan-3-yl)-1,3-thiazol-5-yl]ethanamine is CNCCc1cnc(C2CCSC2)s1.
What is the InChIKey of N-methyl-2-[2-(thiolan-3-yl)-1,3-thiazol-5-yl]ethanamine?
The InChIKey is KADYSUALDFXFFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2S2/c1-11-4-2-9-6-12-10(14-9)8-3-5-13-7-8/h6,8,11H,2-5,7H2,1H3.
What are the key properties of N-methyl-2-[2-(thiolan-3-yl)-1,3-thiazol-5-yl]ethanamine?
N-methyl-2-[2-(thiolan-3-yl)-1,3-thiazol-5-yl]ethanamine has a molecular weight of 228.39 g/mol, XLogP of 2.13, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[2-(thiolan-3-yl)-1,3-thiazol-5-yl]ethanamine is sourced from PubChem (CID 115089835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).