N-methyl-1-[4-(oxetan-3-yloxymethyl)-1,3-thiazol-2-yl]methanamine

C9H14N2O2S — CID 102608135

IUPACN-methyl-1-[4-(oxetan-3-yloxymethyl)-1,3-thiazol-2-yl]methanamine
SMILESCNCc1nc(COC2COC2)cs1
InChIInChI=1S/C9H14N2O2S/c1-10-2-9-11-7(6-14-9)3-13-8-4-12-5-8/h6,8,10H,2-5H2,1H3
InChIKeyPYUWJFQIGRJBMO-UHFFFAOYSA-N
MW214.29 g/mol
LogP0.78
Rot. Bonds5

About N-methyl-1-[4-(oxetan-3-yloxymethyl)-1,3-thiazol-2-yl]methanamine

N-methyl-1-[4-(oxetan-3-yloxymethyl)-1,3-thiazol-2-yl]methanamine (PubChem CID 102608135) has the molecular formula C9H14N2O2S and a molecular weight of 214.29 g/mol. Its IUPAC name is N-methyl-1-[4-(oxetan-3-yloxymethyl)-1,3-thiazol-2-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[4-(oxetan-3-yloxymethyl)-1,3-thiazol-2-yl]methanamine
PubChem CID102608135
Molecular FormulaC9H14N2O2S
Molecular Weight214.29 g/mol
Exact Mass214.08
IUPAC NameN-methyl-1-[4-(oxetan-3-yloxymethyl)-1,3-thiazol-2-yl]methanamine
SMILESCNCc1nc(COC2COC2)cs1
InChIInChI=1S/C9H14N2O2S/c1-10-2-9-11-7(6-14-9)3-13-8-4-12-5-8/h6,8,10H,2-5H2,1H3
InChIKeyPYUWJFQIGRJBMO-UHFFFAOYSA-N
XLogP0.78
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.29
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[4-(oxan-4-yloxymethyl)-1,3-thiazol-2-yl]methyl]ethanamine
CID 62441066
2-methyl-N-[[4-(oxan-4-yloxymethyl)-1,3-thiazol-2-yl]methyl]propan-1-amine
CID 62440700
N-[[4-(cycloheptyloxymethyl)-1,3-thiazol-2-yl]methyl]-2-methylpropan-1-amine
CID 62459671
N-[[4-[(4,4-dimethylcyclohexyl)oxymethyl]-1,3-thiazol-2-yl]methyl]-2-methylpropan-2-amine
CID 114342496
N,N-dimethyl-2-[[2-(methylaminomethyl)-1,3-thiazol-4-yl]methoxy]ethanamine
CID 62458579
1-[4-[(2,5-dibromo-4-methoxyphenoxy)methyl]-1,3-thiazol-2-yl]-N-methylmethanamine
CID 79403792
N-[[4-[(2-methylcyclohexyl)oxymethyl]-1,3-thiazol-2-yl]methyl]propan-2-amine
CID 62443365
1-[4-[(3,4-dichlorophenoxy)methyl]-1,3-thiazol-2-yl]-N-methylmethanamine
CID 62485760
N-methyl-1-[4-(2,2,3,3-tetrafluoropropoxymethyl)-1,3-thiazol-2-yl]methanamine
CID 55077413
1-[4-[(4-bromo-3,5-dimethylphenoxy)methyl]-1,3-thiazol-2-yl]-N-methylmethanamine
CID 107726525
N-[[4-[(2-methylcyclohexyl)oxymethyl]-1,3-thiazol-2-yl]methyl]propan-1-amine
CID 62443364
1-[4-[(3-chlorophenoxy)methyl]-1,3-thiazol-2-yl]-N-methylmethanamine
CID 55076708

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[4-(oxetan-3-yloxymethyl)-1,3-thiazol-2-yl]methanamine?
The IUPAC name of N-methyl-1-[4-(oxetan-3-yloxymethyl)-1,3-thiazol-2-yl]methanamine (CID 102608135) is N-methyl-1-[4-(oxetan-3-yloxymethyl)-1,3-thiazol-2-yl]methanamine.
What is the SMILES notation for N-methyl-1-[4-(oxetan-3-yloxymethyl)-1,3-thiazol-2-yl]methanamine?
The canonical SMILES for N-methyl-1-[4-(oxetan-3-yloxymethyl)-1,3-thiazol-2-yl]methanamine is CNCc1nc(COC2COC2)cs1.
What is the InChIKey of N-methyl-1-[4-(oxetan-3-yloxymethyl)-1,3-thiazol-2-yl]methanamine?
The InChIKey is PYUWJFQIGRJBMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2S/c1-10-2-9-11-7(6-14-9)3-13-8-4-12-5-8/h6,8,10H,2-5H2,1H3.
What are the key properties of N-methyl-1-[4-(oxetan-3-yloxymethyl)-1,3-thiazol-2-yl]methanamine?
N-methyl-1-[4-(oxetan-3-yloxymethyl)-1,3-thiazol-2-yl]methanamine has a molecular weight of 214.29 g/mol, XLogP of 0.78, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[4-(oxetan-3-yloxymethyl)-1,3-thiazol-2-yl]methanamine is sourced from PubChem (CID 102608135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).