1-(1,3-thiazol-2-yl)-N-(thiolan-2-ylmethyl)ethanamine

C10H16N2S2 — CID 80584011

IUPAC1-(1,3-thiazol-2-yl)-N-(thiolan-2-ylmethyl)ethanamine
SMILESCC(NCC1CCCS1)c1nccs1
InChIInChI=1S/C10H16N2S2/c1-8(10-11-4-6-14-10)12-7-9-3-2-5-13-9/h4,6,8-9,12H,2-3,5,7H2,1H3
InChIKeyHQFRORYACHVDSJ-UHFFFAOYSA-N
MW228.39 g/mol
LogP2.69
Rot. Bonds4

About 1-(1,3-thiazol-2-yl)-N-(thiolan-2-ylmethyl)ethanamine

1-(1,3-thiazol-2-yl)-N-(thiolan-2-ylmethyl)ethanamine (PubChem CID 80584011) has the molecular formula C10H16N2S2 and a molecular weight of 228.39 g/mol. Its IUPAC name is 1-(1,3-thiazol-2-yl)-N-(thiolan-2-ylmethyl)ethanamine.

Molecular Properties

Compound Name1-(1,3-thiazol-2-yl)-N-(thiolan-2-ylmethyl)ethanamine
PubChem CID80584011
Molecular FormulaC10H16N2S2
Molecular Weight228.39 g/mol
Exact Mass228.08
IUPAC Name1-(1,3-thiazol-2-yl)-N-(thiolan-2-ylmethyl)ethanamine
SMILESCC(NCC1CCCS1)c1nccs1
InChIInChI=1S/C10H16N2S2/c1-8(10-11-4-6-14-10)12-7-9-3-2-5-13-9/h4,6,8-9,12H,2-3,5,7H2,1H3
InChIKeyHQFRORYACHVDSJ-UHFFFAOYSA-N
XLogP2.69
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 ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[1-(1,3-thiazol-2-yl)ethylamino]methyl]cyclopentan-1-ol
CID 103271556
N-[1-(1,3-thiazol-2-yl)ethyl]propan-1-amine
CID 46785149
1-(3,5-dimethylphenyl)-N-(thiolan-2-ylmethyl)ethanamine
CID 81343587
1-[2-[1-(1,3-thiazol-2-yl)ethylamino]ethyl]cyclobutan-1-amine
CID 79845095
1-(1,3-thiazol-2-yl)-N-(thiomorpholin-3-ylmethyl)ethanamine
CID 82917675
N-[1-(1,3-thiazol-2-yl)ethyl]propan-2-amine
CID 46785150
3-(oxolan-2-yl)-N-[1-(1,3-thiazol-2-yl)ethyl]propan-1-amine
CID 65161041
1-(4-ethylphenyl)-N-(thiolan-2-ylmethyl)ethanamine
CID 80584060
N-[2-(azetidin-3-yl)ethyl]-1-(1,3-thiazol-2-yl)ethanamine
CID 116680140
N-[2-(4-methylpiperidin-1-yl)ethyl]-1-(1,3-thiazol-2-yl)ethanamine
CID 64990558
1-(1-ethylpyrazol-4-yl)-N-(thiolan-2-ylmethyl)ethanamine
CID 80583918
1-(2,5-dimethylthiophen-3-yl)-N-(thiolan-2-ylmethyl)ethanamine
CID 80583978

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-thiazol-2-yl)-N-(thiolan-2-ylmethyl)ethanamine?
The IUPAC name of 1-(1,3-thiazol-2-yl)-N-(thiolan-2-ylmethyl)ethanamine (CID 80584011) is 1-(1,3-thiazol-2-yl)-N-(thiolan-2-ylmethyl)ethanamine.
What is the SMILES notation for 1-(1,3-thiazol-2-yl)-N-(thiolan-2-ylmethyl)ethanamine?
The canonical SMILES for 1-(1,3-thiazol-2-yl)-N-(thiolan-2-ylmethyl)ethanamine is CC(NCC1CCCS1)c1nccs1.
What is the InChIKey of 1-(1,3-thiazol-2-yl)-N-(thiolan-2-ylmethyl)ethanamine?
The InChIKey is HQFRORYACHVDSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2S2/c1-8(10-11-4-6-14-10)12-7-9-3-2-5-13-9/h4,6,8-9,12H,2-3,5,7H2,1H3.
What are the key properties of 1-(1,3-thiazol-2-yl)-N-(thiolan-2-ylmethyl)ethanamine?
1-(1,3-thiazol-2-yl)-N-(thiolan-2-ylmethyl)ethanamine has a molecular weight of 228.39 g/mol, XLogP of 2.69, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-thiazol-2-yl)-N-(thiolan-2-ylmethyl)ethanamine is sourced from PubChem (CID 80584011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).