2-[5-methyl-4-(thiolan-3-yl)-1,3-thiazol-2-yl]ethanamine

C10H16N2S2 — CID 115036882

IUPAC2-[5-methyl-4-(thiolan-3-yl)-1,3-thiazol-2-yl]ethanamine
SMILESCc1sc(CCN)nc1C1CCSC1
InChIInChI=1S/C10H16N2S2/c1-7-10(8-3-5-13-6-8)12-9(14-7)2-4-11/h8H,2-6,11H2,1H3
InChIKeyGKIZNGZPLHUFJN-UHFFFAOYSA-N
MW228.39 g/mol
LogP2.17
Rot. Bonds3

About 2-[5-methyl-4-(thiolan-3-yl)-1,3-thiazol-2-yl]ethanamine

2-[5-methyl-4-(thiolan-3-yl)-1,3-thiazol-2-yl]ethanamine (PubChem CID 115036882) has the molecular formula C10H16N2S2 and a molecular weight of 228.39 g/mol. Its IUPAC name is 2-[5-methyl-4-(thiolan-3-yl)-1,3-thiazol-2-yl]ethanamine.

Molecular Properties

Compound Name2-[5-methyl-4-(thiolan-3-yl)-1,3-thiazol-2-yl]ethanamine
PubChem CID115036882
Molecular FormulaC10H16N2S2
Molecular Weight228.39 g/mol
Exact Mass228.08
IUPAC Name2-[5-methyl-4-(thiolan-3-yl)-1,3-thiazol-2-yl]ethanamine
SMILESCc1sc(CCN)nc1C1CCSC1
InChIInChI=1S/C10H16N2S2/c1-7-10(8-3-5-13-6-8)12-9(14-7)2-4-11/h8H,2-6,11H2,1H3
InChIKeyGKIZNGZPLHUFJN-UHFFFAOYSA-N
XLogP2.17
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.39
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4-cyclohexyl-5-methyl-1,3-thiazol-2-yl)methanamine
CID 105464505
[4-methyl-2-(thiolan-3-yl)-1,3-thiazol-5-yl]methanamine
CID 115028914
N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]thiolan-3-amine
CID 115729045
2-[4-(thiolan-3-yl)phenyl]ethanamine
CID 84779900
[5-methyl-4-(thiolan-3-yl)-1,3-oxazol-2-yl]methanol
CID 115021752
2-tert-butyl-4-(thiolan-3-yl)imidazole-1,5-diamine
CID 107133535
2-[2-(thiolan-3-yl)phenyl]ethanamine
CID 84779898
3-[5-methyl-4-(thiolan-3-yl)-1,3-oxazol-2-yl]propanoic acid
CID 115044337
2-amino-3-(4-cyclobutyl-5-methyl-1,3-thiazol-2-yl)propanoic acid
CID 116868149
N-[[2-(2-aminoethyl)-1,3-thiazol-4-yl]methyl]-N-methylthiolan-3-amine
CID 66389020
[5-methyl-4-(oxolan-3-yl)-1,3-thiazol-2-yl]methanol
CID 115021751
2-(5-chloro-4-methyl-1,3-thiazol-2-yl)ethanamine
CID 16762381

Frequently Asked Questions

What is the IUPAC name of 2-[5-methyl-4-(thiolan-3-yl)-1,3-thiazol-2-yl]ethanamine?
The IUPAC name of 2-[5-methyl-4-(thiolan-3-yl)-1,3-thiazol-2-yl]ethanamine (CID 115036882) is 2-[5-methyl-4-(thiolan-3-yl)-1,3-thiazol-2-yl]ethanamine.
What is the SMILES notation for 2-[5-methyl-4-(thiolan-3-yl)-1,3-thiazol-2-yl]ethanamine?
The canonical SMILES for 2-[5-methyl-4-(thiolan-3-yl)-1,3-thiazol-2-yl]ethanamine is Cc1sc(CCN)nc1C1CCSC1.
What is the InChIKey of 2-[5-methyl-4-(thiolan-3-yl)-1,3-thiazol-2-yl]ethanamine?
The InChIKey is GKIZNGZPLHUFJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2S2/c1-7-10(8-3-5-13-6-8)12-9(14-7)2-4-11/h8H,2-6,11H2,1H3.
What are the key properties of 2-[5-methyl-4-(thiolan-3-yl)-1,3-thiazol-2-yl]ethanamine?
2-[5-methyl-4-(thiolan-3-yl)-1,3-thiazol-2-yl]ethanamine has a molecular weight of 228.39 g/mol, XLogP of 2.17, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-methyl-4-(thiolan-3-yl)-1,3-thiazol-2-yl]ethanamine is sourced from PubChem (CID 115036882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).