[2-(thian-2-ylmethyl)-1,3-oxazol-4-yl]methanamine

C10H16N2OS — CID 115083265

IUPAC[2-(thian-2-ylmethyl)-1,3-oxazol-4-yl]methanamine
SMILESNCc1coc(CC2CCCCS2)n1
InChIInChI=1S/C10H16N2OS/c11-6-8-7-13-10(12-8)5-9-3-1-2-4-14-9/h7,9H,1-6,11H2
InChIKeyURURNYKLEMUSNG-UHFFFAOYSA-N
MW212.32 g/mol
LogP1.96
Rot. Bonds3

About [2-(thian-2-ylmethyl)-1,3-oxazol-4-yl]methanamine

[2-(thian-2-ylmethyl)-1,3-oxazol-4-yl]methanamine (PubChem CID 115083265) has the molecular formula C10H16N2OS and a molecular weight of 212.32 g/mol. Its IUPAC name is [2-(thian-2-ylmethyl)-1,3-oxazol-4-yl]methanamine.

Molecular Properties

Compound Name[2-(thian-2-ylmethyl)-1,3-oxazol-4-yl]methanamine
PubChem CID115083265
Molecular FormulaC10H16N2OS
Molecular Weight212.32 g/mol
Exact Mass212.10
IUPAC Name[2-(thian-2-ylmethyl)-1,3-oxazol-4-yl]methanamine
SMILESNCc1coc(CC2CCCCS2)n1
InChIInChI=1S/C10H16N2OS/c11-6-8-7-13-10(12-8)5-9-3-1-2-4-14-9/h7,9H,1-6,11H2
InChIKeyURURNYKLEMUSNG-UHFFFAOYSA-N
XLogP1.96
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.32
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-1-[2-(thiolan-2-ylmethyl)-1,3-oxazol-4-yl]methanamine
CID 115083120
2-(thian-2-ylmethyl)-1,3-oxazole-4-carboxylic acid
CID 115083332
[5-(thian-2-ylmethyl)-1,2-oxazol-3-yl]methanamine
CID 115094147
1-[2-(thiolan-2-ylmethyl)-1,3-oxazol-4-yl]ethanol
CID 115083037
[2-(piperidin-3-ylmethyl)-1,3-oxazol-4-yl]methanamine
CID 115083426
5-(thian-2-ylmethyl)-1,2,4-oxadiazole-3-carboxylic acid
CID 115078441
[2-[(1-ethylpiperidin-4-yl)methyl]-1,3-oxazol-4-yl]methanamine
CID 115082508
[2-(thian-2-ylmethyl)-1,3-thiazol-4-yl]methanol
CID 115088747
[2-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1,3-oxazol-4-yl]methanamine
CID 115082349
3-chloro-6-(thian-2-ylmethyl)pyridazin-4-amine
CID 117106123
3-[5-(thian-2-ylmethyl)-1,2,4-oxadiazol-3-yl]propanoic acid
CID 115078455
3-[4-(thian-2-yl)-1,3-oxazol-2-yl]propan-1-ol
CID 115036295

Frequently Asked Questions

What is the IUPAC name of [2-(thian-2-ylmethyl)-1,3-oxazol-4-yl]methanamine?
The IUPAC name of [2-(thian-2-ylmethyl)-1,3-oxazol-4-yl]methanamine (CID 115083265) is [2-(thian-2-ylmethyl)-1,3-oxazol-4-yl]methanamine.
What is the SMILES notation for [2-(thian-2-ylmethyl)-1,3-oxazol-4-yl]methanamine?
The canonical SMILES for [2-(thian-2-ylmethyl)-1,3-oxazol-4-yl]methanamine is NCc1coc(CC2CCCCS2)n1.
What is the InChIKey of [2-(thian-2-ylmethyl)-1,3-oxazol-4-yl]methanamine?
The InChIKey is URURNYKLEMUSNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2OS/c11-6-8-7-13-10(12-8)5-9-3-1-2-4-14-9/h7,9H,1-6,11H2.
What are the key properties of [2-(thian-2-ylmethyl)-1,3-oxazol-4-yl]methanamine?
[2-(thian-2-ylmethyl)-1,3-oxazol-4-yl]methanamine has a molecular weight of 212.32 g/mol, XLogP of 1.96, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(thian-2-ylmethyl)-1,3-oxazol-4-yl]methanamine is sourced from PubChem (CID 115083265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).