1-(1,4-dioxan-2-yl)-N-methyl-1-(1,2-thiazol-3-yl)methanamine

C9H14N2O2S — CID 130604848

IUPAC1-(1,4-dioxan-2-yl)-N-methyl-1-(1,2-thiazol-3-yl)methanamine
SMILESCNC(c1ccsn1)C1COCCO1
InChIInChI=1S/C9H14N2O2S/c1-10-9(7-2-5-14-11-7)8-6-12-3-4-13-8/h2,5,8-10H,3-4,6H2,1H3
InChIKeyMTKOVTNCXUGYFY-UHFFFAOYSA-N
MW214.29 g/mol
LogP0.82
Rot. Bonds3

About 1-(1,4-dioxan-2-yl)-N-methyl-1-(1,2-thiazol-3-yl)methanamine

1-(1,4-dioxan-2-yl)-N-methyl-1-(1,2-thiazol-3-yl)methanamine (PubChem CID 130604848) has the molecular formula C9H14N2O2S and a molecular weight of 214.29 g/mol. Its IUPAC name is 1-(1,4-dioxan-2-yl)-N-methyl-1-(1,2-thiazol-3-yl)methanamine.

Molecular Properties

Compound Name1-(1,4-dioxan-2-yl)-N-methyl-1-(1,2-thiazol-3-yl)methanamine
PubChem CID130604848
Molecular FormulaC9H14N2O2S
Molecular Weight214.29 g/mol
Exact Mass214.08
IUPAC Name1-(1,4-dioxan-2-yl)-N-methyl-1-(1,2-thiazol-3-yl)methanamine
SMILESCNC(c1ccsn1)C1COCCO1
InChIInChI=1S/C9H14N2O2S/c1-10-9(7-2-5-14-11-7)8-6-12-3-4-13-8/h2,5,8-10H,3-4,6H2,1H3
InChIKeyMTKOVTNCXUGYFY-UHFFFAOYSA-N
XLogP0.82
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.29
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(1,4-dioxan-2-yl)-N-methyl-1-(1,2-thiazol-3-yl)methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-methyl-1-(oxan-2-yl)-1-(1,2-thiazol-3-yl)methanamine
CID 130642110
Oxan-2-yl(1,2-thiazol-3-yl)methanamine
CID 130665539
1-(1,4-dioxan-2-yl)-N-methyl-1-(1,2-thiazol-5-yl)methanamine
CID 131062605
N-methyl-1-(5-methyloxolan-2-yl)-1-(1,2-thiazol-3-yl)methanamine
CID 131096949
2-methoxy-N-methyl-1-(1,2-thiazol-3-yl)ethanamine
CID 131223120
N-(1,4-dioxaspiro[4.6]undecan-3-ylmethyl)-1-(1,2-thiazol-3-yl)ethanamine
CID 146102853
9-(1,2-Thiazol-3-yl)-5-oxa-8-azaspiro[3.5]nonane
CID 165591921
1,1-Dimethyl-10-(1,2-thiazol-3-yl)-2,6-dioxa-9-azaspiro[4.5]decane
CID 165596039
5-(1,2-Thiazol-3-yl)-1,8-dioxa-4-azaspiro[5.5]undecane
CID 165596156
3,3-Dimethyl-10-(1,2-thiazol-3-yl)-2,6-dioxa-9-azaspiro[4.5]decane
CID 165596348
2,2-Diethyl-3-(1,2-thiazol-3-yl)morpholine
CID 165598330
5-(1,2-Thiazol-3-yl)-1,9-dioxa-4-azaspiro[5.5]undecane
CID 165603553

Frequently Asked Questions

What is the IUPAC name of 1-(1,4-dioxan-2-yl)-N-methyl-1-(1,2-thiazol-3-yl)methanamine?
The IUPAC name of 1-(1,4-dioxan-2-yl)-N-methyl-1-(1,2-thiazol-3-yl)methanamine (CID 130604848) is 1-(1,4-dioxan-2-yl)-N-methyl-1-(1,2-thiazol-3-yl)methanamine.
What is the SMILES notation for 1-(1,4-dioxan-2-yl)-N-methyl-1-(1,2-thiazol-3-yl)methanamine?
The canonical SMILES for 1-(1,4-dioxan-2-yl)-N-methyl-1-(1,2-thiazol-3-yl)methanamine is CNC(c1ccsn1)C1COCCO1.
What is the InChIKey of 1-(1,4-dioxan-2-yl)-N-methyl-1-(1,2-thiazol-3-yl)methanamine?
The InChIKey is MTKOVTNCXUGYFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2S/c1-10-9(7-2-5-14-11-7)8-6-12-3-4-13-8/h2,5,8-10H,3-4,6H2,1H3.
What are the key properties of 1-(1,4-dioxan-2-yl)-N-methyl-1-(1,2-thiazol-3-yl)methanamine?
1-(1,4-dioxan-2-yl)-N-methyl-1-(1,2-thiazol-3-yl)methanamine has a molecular weight of 214.29 g/mol, XLogP of 0.82, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,4-dioxan-2-yl)-N-methyl-1-(1,2-thiazol-3-yl)methanamine is sourced from PubChem (CID 130604848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).