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

C10H16N2OS — CID 103987689

IUPACN-methyl-1-[2-(oxolan-3-ylmethyl)-1,3-thiazol-5-yl]methanamine
SMILESCNCc1cnc(CC2CCOC2)s1
InChIInChI=1S/C10H16N2OS/c1-11-5-9-6-12-10(14-9)4-8-2-3-13-7-8/h6,8,11H,2-5,7H2,1H3
InChIKeyJGXVEXKWCBCODZ-UHFFFAOYSA-N
MW212.32 g/mol
LogP1.44
Rot. Bonds4

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

N-methyl-1-[2-(oxolan-3-ylmethyl)-1,3-thiazol-5-yl]methanamine (PubChem CID 103987689) has the molecular formula C10H16N2OS and a molecular weight of 212.32 g/mol. Its IUPAC name is N-methyl-1-[2-(oxolan-3-ylmethyl)-1,3-thiazol-5-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[2-(oxolan-3-ylmethyl)-1,3-thiazol-5-yl]methanamine
PubChem CID103987689
Molecular FormulaC10H16N2OS
Molecular Weight212.32 g/mol
Exact Mass212.10
IUPAC NameN-methyl-1-[2-(oxolan-3-ylmethyl)-1,3-thiazol-5-yl]methanamine
SMILESCNCc1cnc(CC2CCOC2)s1
InChIInChI=1S/C10H16N2OS/c1-11-5-9-6-12-10(14-9)4-8-2-3-13-7-8/h6,8,11H,2-5,7H2,1H3
InChIKeyJGXVEXKWCBCODZ-UHFFFAOYSA-N
XLogP1.44
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 ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-3-[2-(oxan-4-ylmethyl)-1,3-thiazol-5-yl]propan-1-amine
CID 115090291
N-methyl-1-[2-[(1-propan-2-ylpiperidin-3-yl)methyl]-1,3-thiazol-5-yl]methanamine
CID 115091144
2-[2-(oxan-3-ylmethyl)-1,3-thiazol-5-yl]acetaldehyde
CID 115091091
1-[2-(oxan-3-ylmethyl)-1,3-thiazol-5-yl]propan-2-one
CID 115091092
N-methyl-1-[2-(piperidin-2-ylmethyl)-1,3-thiazol-5-yl]methanamine
CID 115090979
N-methyl-1-(2-propyl-1,3-thiazol-5-yl)methanamine
CID 61281146
N-[(5-chloro-1,3-thiazol-2-yl)methyl]-2-(oxolan-3-yl)ethanamine
CID 104879629
N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-1-(oxolan-3-yl)ethanamine
CID 115684441
2-methyl-N-[[2-(oxolan-3-ylmethyl)-4-propyl-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 114364653
1-(2-cyclopentyl-1,3-thiazol-5-yl)-N-methylmethanamine
CID 61281926
2-[2-[(1-ethylpyrrolidin-3-yl)methyl]-1,3-thiazol-5-yl]-N-methylethanamine
CID 115090125
N-[[2-(oxolan-3-ylmethyl)-1,3-thiazol-4-yl]methyl]propan-2-amine
CID 103987716

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[2-(oxolan-3-ylmethyl)-1,3-thiazol-5-yl]methanamine?
The IUPAC name of N-methyl-1-[2-(oxolan-3-ylmethyl)-1,3-thiazol-5-yl]methanamine (CID 103987689) is N-methyl-1-[2-(oxolan-3-ylmethyl)-1,3-thiazol-5-yl]methanamine.
What is the SMILES notation for N-methyl-1-[2-(oxolan-3-ylmethyl)-1,3-thiazol-5-yl]methanamine?
The canonical SMILES for N-methyl-1-[2-(oxolan-3-ylmethyl)-1,3-thiazol-5-yl]methanamine is CNCc1cnc(CC2CCOC2)s1.
What is the InChIKey of N-methyl-1-[2-(oxolan-3-ylmethyl)-1,3-thiazol-5-yl]methanamine?
The InChIKey is JGXVEXKWCBCODZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2OS/c1-11-5-9-6-12-10(14-9)4-8-2-3-13-7-8/h6,8,11H,2-5,7H2,1H3.
What are the key properties of N-methyl-1-[2-(oxolan-3-ylmethyl)-1,3-thiazol-5-yl]methanamine?
N-methyl-1-[2-(oxolan-3-ylmethyl)-1,3-thiazol-5-yl]methanamine has a molecular weight of 212.32 g/mol, XLogP of 1.44, 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-(oxolan-3-ylmethyl)-1,3-thiazol-5-yl]methanamine is sourced from PubChem (CID 103987689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).