2-methyl-N-[(3-methyl-1,2-thiazol-5-yl)methyl]oxolan-3-amine

C10H16N2OS — CID 126986975

IUPAC2-methyl-N-[(3-methyl-1,2-thiazol-5-yl)methyl]oxolan-3-amine
SMILESCc1cc(CNC2CCOC2C)sn1
InChIInChI=1S/C10H16N2OS/c1-7-5-9(14-12-7)6-11-10-3-4-13-8(10)2/h5,8,10-11H,3-4,6H2,1-2H3
InChIKeyFXLXEGPDZDMAAQ-UHFFFAOYSA-N
MW212.32 g/mol
LogP1.72
Rot. Bonds3

About 2-methyl-N-[(3-methyl-1,2-thiazol-5-yl)methyl]oxolan-3-amine

2-methyl-N-[(3-methyl-1,2-thiazol-5-yl)methyl]oxolan-3-amine (PubChem CID 126986975) has the molecular formula C10H16N2OS and a molecular weight of 212.32 g/mol. Its IUPAC name is 2-methyl-N-[(3-methyl-1,2-thiazol-5-yl)methyl]oxolan-3-amine.

Molecular Properties

Compound Name2-methyl-N-[(3-methyl-1,2-thiazol-5-yl)methyl]oxolan-3-amine
PubChem CID126986975
Molecular FormulaC10H16N2OS
Molecular Weight212.32 g/mol
Exact Mass212.10
IUPAC Name2-methyl-N-[(3-methyl-1,2-thiazol-5-yl)methyl]oxolan-3-amine
SMILESCc1cc(CNC2CCOC2C)sn1
InChIInChI=1S/C10H16N2OS/c1-7-5-9(14-12-7)6-11-10-3-4-13-8(10)2/h5,8,10-11H,3-4,6H2,1-2H3
InChIKeyFXLXEGPDZDMAAQ-UHFFFAOYSA-N
XLogP1.72
TPSA34.15 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 ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(3-methyl-1,2-thiazol-5-yl)methyl]oxolan-3-amine?
The IUPAC name of 2-methyl-N-[(3-methyl-1,2-thiazol-5-yl)methyl]oxolan-3-amine (CID 126986975) is 2-methyl-N-[(3-methyl-1,2-thiazol-5-yl)methyl]oxolan-3-amine.
What is the SMILES notation for 2-methyl-N-[(3-methyl-1,2-thiazol-5-yl)methyl]oxolan-3-amine?
The canonical SMILES for 2-methyl-N-[(3-methyl-1,2-thiazol-5-yl)methyl]oxolan-3-amine is Cc1cc(CNC2CCOC2C)sn1.
What is the InChIKey of 2-methyl-N-[(3-methyl-1,2-thiazol-5-yl)methyl]oxolan-3-amine?
The InChIKey is FXLXEGPDZDMAAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2OS/c1-7-5-9(14-12-7)6-11-10-3-4-13-8(10)2/h5,8,10-11H,3-4,6H2,1-2H3.
What are the key properties of 2-methyl-N-[(3-methyl-1,2-thiazol-5-yl)methyl]oxolan-3-amine?
2-methyl-N-[(3-methyl-1,2-thiazol-5-yl)methyl]oxolan-3-amine has a molecular weight of 212.32 g/mol, XLogP of 1.72, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(3-methyl-1,2-thiazol-5-yl)methyl]oxolan-3-amine is sourced from PubChem (CID 126986975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).