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

C10H16N2OS — CID 115082966

IUPACN-methyl-1-[2-(thian-2-yl)-1,3-oxazol-4-yl]methanamine
SMILESCNCc1coc(C2CCCCS2)n1
InChIInChI=1S/C10H16N2OS/c1-11-6-8-7-13-10(12-8)9-4-2-3-5-14-9/h7,9,11H,2-6H2,1H3
InChIKeyKKSXOIQONMHJAD-UHFFFAOYSA-N
MW212.32 g/mol
LogP2.35
Rot. Bonds3

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

N-methyl-1-[2-(thian-2-yl)-1,3-oxazol-4-yl]methanamine (PubChem CID 115082966) has the molecular formula C10H16N2OS and a molecular weight of 212.32 g/mol. Its IUPAC name is N-methyl-1-[2-(thian-2-yl)-1,3-oxazol-4-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[2-(thian-2-yl)-1,3-oxazol-4-yl]methanamine
PubChem CID115082966
Molecular FormulaC10H16N2OS
Molecular Weight212.32 g/mol
Exact Mass212.10
IUPAC NameN-methyl-1-[2-(thian-2-yl)-1,3-oxazol-4-yl]methanamine
SMILESCNCc1coc(C2CCCCS2)n1
InChIInChI=1S/C10H16N2OS/c1-11-6-8-7-13-10(12-8)9-4-2-3-5-14-9/h7,9,11H,2-6H2,1H3
InChIKeyKKSXOIQONMHJAD-UHFFFAOYSA-N
XLogP2.35
TPSA38.06 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 ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[2-(thian-2-yl)-1,3-oxazol-4-yl]methanamine?
The IUPAC name of N-methyl-1-[2-(thian-2-yl)-1,3-oxazol-4-yl]methanamine (CID 115082966) is N-methyl-1-[2-(thian-2-yl)-1,3-oxazol-4-yl]methanamine.
What is the SMILES notation for N-methyl-1-[2-(thian-2-yl)-1,3-oxazol-4-yl]methanamine?
The canonical SMILES for N-methyl-1-[2-(thian-2-yl)-1,3-oxazol-4-yl]methanamine is CNCc1coc(C2CCCCS2)n1.
What is the InChIKey of N-methyl-1-[2-(thian-2-yl)-1,3-oxazol-4-yl]methanamine?
The InChIKey is KKSXOIQONMHJAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2OS/c1-11-6-8-7-13-10(12-8)9-4-2-3-5-14-9/h7,9,11H,2-6H2,1H3.
What are the key properties of N-methyl-1-[2-(thian-2-yl)-1,3-oxazol-4-yl]methanamine?
N-methyl-1-[2-(thian-2-yl)-1,3-oxazol-4-yl]methanamine has a molecular weight of 212.32 g/mol, XLogP of 2.35, 3 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-2-yl)-1,3-oxazol-4-yl]methanamine is sourced from PubChem (CID 115082966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).