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

C11H18N2OS — CID 115082516

IUPACN-methyl-1-[2-(thian-4-ylmethyl)-1,3-oxazol-4-yl]methanamine
SMILESCNCc1coc(CC2CCSCC2)n1
InChIInChI=1S/C11H18N2OS/c1-12-7-10-8-14-11(13-10)6-9-2-4-15-5-3-9/h8-9,12H,2-7H2,1H3
InChIKeyXKSKQCWAPQNVOT-UHFFFAOYSA-N
MW226.34 g/mol
LogP2.08
Rot. Bonds4

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

N-methyl-1-[2-(thian-4-ylmethyl)-1,3-oxazol-4-yl]methanamine (PubChem CID 115082516) has the molecular formula C11H18N2OS and a molecular weight of 226.34 g/mol. Its IUPAC name is N-methyl-1-[2-(thian-4-ylmethyl)-1,3-oxazol-4-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[2-(thian-4-ylmethyl)-1,3-oxazol-4-yl]methanamine
PubChem CID115082516
Molecular FormulaC11H18N2OS
Molecular Weight226.34 g/mol
Exact Mass226.11
IUPAC NameN-methyl-1-[2-(thian-4-ylmethyl)-1,3-oxazol-4-yl]methanamine
SMILESCNCc1coc(CC2CCSCC2)n1
InChIInChI=1S/C11H18N2OS/c1-12-7-10-8-14-11(13-10)6-9-2-4-15-5-3-9/h8-9,12H,2-7H2,1H3
InChIKeyXKSKQCWAPQNVOT-UHFFFAOYSA-N
XLogP2.08
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.34
LogP ≤ 52.08
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
N-methyl-1-[2-(piperidin-3-ylmethyl)-1,3-oxazol-4-yl]methanamine
CID 115083440
N-methyl-3-[2-(oxan-4-ylmethyl)-1,3-oxazol-4-yl]propan-1-amine
CID 115082555
2-[2-[(1,1-dioxothian-4-yl)methyl]-1,3-oxazol-4-yl]-N-methylethanamine
CID 115082531
N-methyl-3-[2-[(1-methylpiperidin-4-yl)methyl]-1,3-oxazol-4-yl]propan-1-amine
CID 115082563
N-methyl-1-[2-(thian-2-yl)-1,3-oxazol-4-yl]methanamine
CID 115082966
N-methyl-3-[5-(thian-4-ylmethyl)-1,3,4-oxadiazol-2-yl]propan-1-amine
CID 83136979
[2-[(1-ethylpiperidin-4-yl)methyl]-1,3-oxazol-4-yl]methanamine
CID 115082508
N-methyl-3-[2-(oxan-3-ylmethyl)-1,3-oxazol-4-yl]propan-1-amine
CID 115083477
1-(2-bromo-1,3-oxazol-4-yl)-N-methylmethanamine
CID 84662978
N-methyl-2-[2-(thian-4-ylmethyl)-1,3-thiazol-4-yl]ethanamine
CID 115088156
2-[2-[(1-propan-2-ylpiperidin-4-yl)methyl]-1,3-oxazol-4-yl]acetaldehyde
CID 115082481

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[2-(thian-4-ylmethyl)-1,3-oxazol-4-yl]methanamine?
The IUPAC name of N-methyl-1-[2-(thian-4-ylmethyl)-1,3-oxazol-4-yl]methanamine (CID 115082516) is N-methyl-1-[2-(thian-4-ylmethyl)-1,3-oxazol-4-yl]methanamine.
What is the SMILES notation for N-methyl-1-[2-(thian-4-ylmethyl)-1,3-oxazol-4-yl]methanamine?
The canonical SMILES for N-methyl-1-[2-(thian-4-ylmethyl)-1,3-oxazol-4-yl]methanamine is CNCc1coc(CC2CCSCC2)n1.
What is the InChIKey of N-methyl-1-[2-(thian-4-ylmethyl)-1,3-oxazol-4-yl]methanamine?
The InChIKey is XKSKQCWAPQNVOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2OS/c1-12-7-10-8-14-11(13-10)6-9-2-4-15-5-3-9/h8-9,12H,2-7H2,1H3.
What are the key properties of N-methyl-1-[2-(thian-4-ylmethyl)-1,3-oxazol-4-yl]methanamine?
N-methyl-1-[2-(thian-4-ylmethyl)-1,3-oxazol-4-yl]methanamine has a molecular weight of 226.34 g/mol, XLogP of 2.08, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[2-(thian-4-ylmethyl)-1,3-oxazol-4-yl]methanamine is sourced from PubChem (CID 115082516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).