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

C10H16N2OS — CID 115094147

IUPAC[5-(thian-2-ylmethyl)-1,2-oxazol-3-yl]methanamine
SMILESNCc1cc(CC2CCCCS2)on1
InChIInChI=1S/C10H16N2OS/c11-7-8-5-9(13-12-8)6-10-3-1-2-4-14-10/h5,10H,1-4,6-7,11H2
InChIKeyFWRXYOWVQHIEJK-UHFFFAOYSA-N
MW212.32 g/mol
LogP1.96
Rot. Bonds3

About [5-(thian-2-ylmethyl)-1,2-oxazol-3-yl]methanamine

[5-(thian-2-ylmethyl)-1,2-oxazol-3-yl]methanamine (PubChem CID 115094147) has the molecular formula C10H16N2OS and a molecular weight of 212.32 g/mol. Its IUPAC name is [5-(thian-2-ylmethyl)-1,2-oxazol-3-yl]methanamine.

Molecular Properties

Compound Name[5-(thian-2-ylmethyl)-1,2-oxazol-3-yl]methanamine
PubChem CID115094147
Molecular FormulaC10H16N2OS
Molecular Weight212.32 g/mol
Exact Mass212.10
IUPAC Name[5-(thian-2-ylmethyl)-1,2-oxazol-3-yl]methanamine
SMILESNCc1cc(CC2CCCCS2)on1
InChIInChI=1S/C10H16N2OS/c11-7-8-5-9(13-12-8)6-10-3-1-2-4-14-10/h5,10H,1-4,6-7,11H2
InChIKeyFWRXYOWVQHIEJK-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

Analyze [5-(thian-2-ylmethyl)-1,2-oxazol-3-yl]methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[5-(cyclopropylmethyl)-1,2-oxazol-3-yl]methanamine;hydrochloride
CID 139022623
[2-(thian-2-ylmethyl)-1,3-oxazol-4-yl]methanamine
CID 115083265
3-chloro-6-(thian-2-ylmethyl)pyridazin-4-amine
CID 117106123
[5-[(1-ethylpyrrolidin-2-yl)methyl]-1,2-oxazol-3-yl]methanamine
CID 115094111
[5-[(1,1-dioxothiolan-3-yl)methyl]-1,2-oxazol-3-yl]methanamine
CID 115093912
5-(thian-2-ylmethyl)-1,2,4-oxadiazole-3-carboxylic acid
CID 115078441
(5-ethyl-1,2-oxazol-3-yl)methanamine
CID 23006259
[5-[(2-methylcyclohexyl)oxymethyl]-1,2-oxazol-3-yl]methanamine
CID 62445866
(5-ethyl-1,2-oxazol-3-yl)methanamine;hydrochloride
CID 70789245
3-methoxy-6-(thiolan-2-ylmethyl)pyridazin-4-amine
CID 117106065
[2-(thian-2-ylmethyl)-1,3-thiazol-4-yl]methanol
CID 115088747
1-[1-[[3-(aminomethyl)-1,2-oxazol-5-yl]methyl]pyrrolidin-2-yl]-N,N-dimethylmethanamine
CID 62888362

Frequently Asked Questions

What is the IUPAC name of [5-(thian-2-ylmethyl)-1,2-oxazol-3-yl]methanamine?
The IUPAC name of [5-(thian-2-ylmethyl)-1,2-oxazol-3-yl]methanamine (CID 115094147) is [5-(thian-2-ylmethyl)-1,2-oxazol-3-yl]methanamine.
What is the SMILES notation for [5-(thian-2-ylmethyl)-1,2-oxazol-3-yl]methanamine?
The canonical SMILES for [5-(thian-2-ylmethyl)-1,2-oxazol-3-yl]methanamine is NCc1cc(CC2CCCCS2)on1.
What is the InChIKey of [5-(thian-2-ylmethyl)-1,2-oxazol-3-yl]methanamine?
The InChIKey is FWRXYOWVQHIEJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2OS/c11-7-8-5-9(13-12-8)6-10-3-1-2-4-14-10/h5,10H,1-4,6-7,11H2.
What are the key properties of [5-(thian-2-ylmethyl)-1,2-oxazol-3-yl]methanamine?
[5-(thian-2-ylmethyl)-1,2-oxazol-3-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 [5-(thian-2-ylmethyl)-1,2-oxazol-3-yl]methanamine is sourced from PubChem (CID 115094147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).