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

C9H14N2OS2 — CID 131036684

IUPACN-methyl-1-(1,4-oxathian-2-yl)-1-(1,2-thiazol-5-yl)methanamine
SMILESCNC(c1ccns1)C1CSCCO1
InChIInChI=1S/C9H14N2OS2/c1-10-9(8-2-3-11-14-8)7-6-13-5-4-12-7/h2-3,7,9-10H,4-6H2,1H3
InChIKeyIODZGJKQHLTUBK-UHFFFAOYSA-N
MW230.36 g/mol
LogP1.54
Rot. Bonds3

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

N-methyl-1-(1,4-oxathian-2-yl)-1-(1,2-thiazol-5-yl)methanamine (PubChem CID 131036684) has the molecular formula C9H14N2OS2 and a molecular weight of 230.36 g/mol. Its IUPAC name is N-methyl-1-(1,4-oxathian-2-yl)-1-(1,2-thiazol-5-yl)methanamine.

Molecular Properties

Compound NameN-methyl-1-(1,4-oxathian-2-yl)-1-(1,2-thiazol-5-yl)methanamine
PubChem CID131036684
Molecular FormulaC9H14N2OS2
Molecular Weight230.36 g/mol
Exact Mass230.05
IUPAC NameN-methyl-1-(1,4-oxathian-2-yl)-1-(1,2-thiazol-5-yl)methanamine
SMILESCNC(c1ccns1)C1CSCCO1
InChIInChI=1S/C9H14N2OS2/c1-10-9(8-2-3-11-14-8)7-6-13-5-4-12-7/h2-3,7,9-10H,4-6H2,1H3
InChIKeyIODZGJKQHLTUBK-UHFFFAOYSA-N
XLogP1.54
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.36
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(1,4-dithian-2-yl)-N-methyl-1-(1,2-thiazol-5-yl)methanamine
CID 130941571
[1,4-Oxathian-2-yl(1,2-thiazol-5-yl)methyl]hydrazine
CID 131001087
1-(1,4-dioxan-2-yl)-N-methyl-1-(1,2-thiazol-5-yl)methanamine
CID 131062605
[4-Methyl-3-(1,2-thiazol-5-yl)morpholin-2-yl]methanamine
CID 164645566
2-(1,2-Thiazol-5-yl)-1-(thiomorpholin-2-yl)ethan-1-ol
CID 164653677
10-(1,2-Thiazol-5-yl)-6-oxa-2-thia-9-azaspiro[4.5]decane
CID 165590631
5-(1,2-Thiazol-5-yl)-1-oxa-8-thia-4-azaspiro[5.5]undecane
CID 165593270
10-(1,2-Thiazol-5-yl)-6-oxa-2lambda6-thia-9-azaspiro[4.5]decane-2,2-dione
CID 165597057
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-oxa-9-thia-4-azaspiro[5.5]undecane
CID 165865157
1-Methyl-10-(1,2-thiazol-5-yl)-6-oxa-2-thia-9-azaspiro[4.5]decane
CID 165865392

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(1,4-oxathian-2-yl)-1-(1,2-thiazol-5-yl)methanamine?
The IUPAC name of N-methyl-1-(1,4-oxathian-2-yl)-1-(1,2-thiazol-5-yl)methanamine (CID 131036684) is N-methyl-1-(1,4-oxathian-2-yl)-1-(1,2-thiazol-5-yl)methanamine.
What is the SMILES notation for N-methyl-1-(1,4-oxathian-2-yl)-1-(1,2-thiazol-5-yl)methanamine?
The canonical SMILES for N-methyl-1-(1,4-oxathian-2-yl)-1-(1,2-thiazol-5-yl)methanamine is CNC(c1ccns1)C1CSCCO1.
What is the InChIKey of N-methyl-1-(1,4-oxathian-2-yl)-1-(1,2-thiazol-5-yl)methanamine?
The InChIKey is IODZGJKQHLTUBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2OS2/c1-10-9(8-2-3-11-14-8)7-6-13-5-4-12-7/h2-3,7,9-10H,4-6H2,1H3.
What are the key properties of N-methyl-1-(1,4-oxathian-2-yl)-1-(1,2-thiazol-5-yl)methanamine?
N-methyl-1-(1,4-oxathian-2-yl)-1-(1,2-thiazol-5-yl)methanamine has a molecular weight of 230.36 g/mol, XLogP of 1.54, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(1,4-oxathian-2-yl)-1-(1,2-thiazol-5-yl)methanamine is sourced from PubChem (CID 131036684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).