1-(1,4-dioxan-2-yl)-N-methyl-1-(1,2-thiazol-5-yl)methanamine

C9H14N2O2S — CID 131062605

IUPAC1-(1,4-dioxan-2-yl)-N-methyl-1-(1,2-thiazol-5-yl)methanamine
SMILESCNC(c1ccns1)C1COCCO1
InChIInChI=1S/C9H14N2O2S/c1-10-9(8-2-3-11-14-8)7-6-12-4-5-13-7/h2-3,7,9-10H,4-6H2,1H3
InChIKeyIVUKWHJNMYCUHH-UHFFFAOYSA-N
MW214.29 g/mol
LogP0.82
Rot. Bonds3

About 1-(1,4-dioxan-2-yl)-N-methyl-1-(1,2-thiazol-5-yl)methanamine

1-(1,4-dioxan-2-yl)-N-methyl-1-(1,2-thiazol-5-yl)methanamine (PubChem CID 131062605) 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-5-yl)methanamine.

Molecular Properties

Compound Name1-(1,4-dioxan-2-yl)-N-methyl-1-(1,2-thiazol-5-yl)methanamine
PubChem CID131062605
Molecular FormulaC9H14N2O2S
Molecular Weight214.29 g/mol
Exact Mass214.08
IUPAC Name1-(1,4-dioxan-2-yl)-N-methyl-1-(1,2-thiazol-5-yl)methanamine
SMILESCNC(c1ccns1)C1COCCO1
InChIInChI=1S/C9H14N2O2S/c1-10-9(8-2-3-11-14-8)7-6-12-4-5-13-7/h2-3,7,9-10H,4-6H2,1H3
InChIKeyIVUKWHJNMYCUHH-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

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Related Compounds

1-(1,4-dioxan-2-yl)-N-methyl-1-(1,2-thiazol-3-yl)methanamine
CID 130604848
N-methyl-1-(1,4-oxathian-2-yl)-1-(1,2-thiazol-5-yl)methanamine
CID 131036684
[4-Methyl-3-(1,2-thiazol-5-yl)morpholin-2-yl]methanamine
CID 164645566
9-(1,2-Thiazol-5-yl)-2,5-dioxa-8-azaspiro[3.5]nonane
CID 165587754
9-(1,2-Thiazol-5-yl)-5-oxa-8-azaspiro[3.5]nonane
CID 165591922
5-(1,2-Thiazol-5-yl)-1-oxa-4-azaspiro[5.5]undecane
CID 165592323
2-Methyl-10-(1,2-thiazol-5-yl)-6-oxa-2,9-diazaspiro[4.5]decane
CID 165595813
1,1-Dimethyl-10-(1,2-thiazol-5-yl)-2,6-dioxa-9-azaspiro[4.5]decane
CID 165601987
10-(1,2-Thiazol-5-yl)-6-oxa-9-azaspiro[4.5]decane
CID 165603585
2,2-Diethyl-3-(1,2-thiazol-5-yl)morpholine
CID 165607698
2,2-Dimethyl-3-(1,2-thiazol-5-yl)morpholine
CID 165749425
5-(1,2-Thiazol-5-yl)-1,8-dioxa-4-azaspiro[5.5]undecane
CID 165863122

Frequently Asked Questions

What is the IUPAC name of 1-(1,4-dioxan-2-yl)-N-methyl-1-(1,2-thiazol-5-yl)methanamine?
The IUPAC name of 1-(1,4-dioxan-2-yl)-N-methyl-1-(1,2-thiazol-5-yl)methanamine (CID 131062605) is 1-(1,4-dioxan-2-yl)-N-methyl-1-(1,2-thiazol-5-yl)methanamine.
What is the SMILES notation for 1-(1,4-dioxan-2-yl)-N-methyl-1-(1,2-thiazol-5-yl)methanamine?
The canonical SMILES for 1-(1,4-dioxan-2-yl)-N-methyl-1-(1,2-thiazol-5-yl)methanamine is CNC(c1ccns1)C1COCCO1.
What is the InChIKey of 1-(1,4-dioxan-2-yl)-N-methyl-1-(1,2-thiazol-5-yl)methanamine?
The InChIKey is IVUKWHJNMYCUHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2S/c1-10-9(8-2-3-11-14-8)7-6-12-4-5-13-7/h2-3,7,9-10H,4-6H2,1H3.
What are the key properties of 1-(1,4-dioxan-2-yl)-N-methyl-1-(1,2-thiazol-5-yl)methanamine?
1-(1,4-dioxan-2-yl)-N-methyl-1-(1,2-thiazol-5-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-5-yl)methanamine is sourced from PubChem (CID 131062605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).