N-methyl-1-[3-(1,3-thiazol-4-ylmethyl)oxolan-3-yl]methanamine

C10H16N2OS — CID 62718502

IUPACN-methyl-1-[3-(1,3-thiazol-4-ylmethyl)oxolan-3-yl]methanamine
SMILESCNCC1(Cc2cscn2)CCOC1
InChIInChI=1S/C10H16N2OS/c1-11-6-10(2-3-13-7-10)4-9-5-14-8-12-9/h5,8,11H,2-4,6-7H2,1H3
InChIKeyUFYGEOSJBNKSDS-UHFFFAOYSA-N
MW212.32 g/mol
LogP1.31
Rot. Bonds4

About N-methyl-1-[3-(1,3-thiazol-4-ylmethyl)oxolan-3-yl]methanamine

N-methyl-1-[3-(1,3-thiazol-4-ylmethyl)oxolan-3-yl]methanamine (PubChem CID 62718502) has the molecular formula C10H16N2OS and a molecular weight of 212.32 g/mol. Its IUPAC name is N-methyl-1-[3-(1,3-thiazol-4-ylmethyl)oxolan-3-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[3-(1,3-thiazol-4-ylmethyl)oxolan-3-yl]methanamine
PubChem CID62718502
Molecular FormulaC10H16N2OS
Molecular Weight212.32 g/mol
Exact Mass212.10
IUPAC NameN-methyl-1-[3-(1,3-thiazol-4-ylmethyl)oxolan-3-yl]methanamine
SMILESCNCC1(Cc2cscn2)CCOC1
InChIInChI=1S/C10H16N2OS/c1-11-6-10(2-3-13-7-10)4-9-5-14-8-12-9/h5,8,11H,2-4,6-7H2,1H3
InChIKeyUFYGEOSJBNKSDS-UHFFFAOYSA-N
XLogP1.31
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.32
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[3-(1,3-thiazol-4-ylmethyl)oxolan-3-yl]methanamine?
The IUPAC name of N-methyl-1-[3-(1,3-thiazol-4-ylmethyl)oxolan-3-yl]methanamine (CID 62718502) is N-methyl-1-[3-(1,3-thiazol-4-ylmethyl)oxolan-3-yl]methanamine.
What is the SMILES notation for N-methyl-1-[3-(1,3-thiazol-4-ylmethyl)oxolan-3-yl]methanamine?
The canonical SMILES for N-methyl-1-[3-(1,3-thiazol-4-ylmethyl)oxolan-3-yl]methanamine is CNCC1(Cc2cscn2)CCOC1.
What is the InChIKey of N-methyl-1-[3-(1,3-thiazol-4-ylmethyl)oxolan-3-yl]methanamine?
The InChIKey is UFYGEOSJBNKSDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2OS/c1-11-6-10(2-3-13-7-10)4-9-5-14-8-12-9/h5,8,11H,2-4,6-7H2,1H3.
What are the key properties of N-methyl-1-[3-(1,3-thiazol-4-ylmethyl)oxolan-3-yl]methanamine?
N-methyl-1-[3-(1,3-thiazol-4-ylmethyl)oxolan-3-yl]methanamine has a molecular weight of 212.32 g/mol, XLogP of 1.31, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[3-(1,3-thiazol-4-ylmethyl)oxolan-3-yl]methanamine is sourced from PubChem (CID 62718502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).